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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 19:08:34 UTC

Update Date

2021-09-26 23:14:37 UTC

HMDB ID

HMDB0257981

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Description

({[({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Based on a literature review very few articles have been published on ({[({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). [(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0257981
     RDKit          3D
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy...
 35 35  0  0  0  0  0  0  0  0999 V2000
    6.7409   -1.0778   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7545   -0.2850   -0.2950 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.3686    1.2541   -0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843   -1.0768    1.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.2573   -1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514   -0.3972    0.0409 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2121   -1.7468    0.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370    0.7800    1.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -0.2989   -0.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451    0.9769   -0.0067 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2454    1.3390    1.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941    2.3258   -1.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    0.6570    0.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773   -0.3345   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    0.2020   -1.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961   -0.2346   -0.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    0.8211   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340    1.8638    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017   -0.9602    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610   -0.1190    1.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -1.4159    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.4681    1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7046    1.9729   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022   -1.9780    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    1.6353    0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106    2.3834   -1.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -0.7381   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0666   -1.0079   -1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189    1.2174   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935    0.3486   -0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4774    1.9100    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -1.8310    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    0.1565    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -2.4123   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -2.2044    2.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 14  1  0
  3 23  1  0
  4 24  1  0
  8 25  1  0
 12 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
 20 33  1  0
 21 34  1  0
 22 35  1  0
M  END


  Mrv1652309112121082D          

 22 22  0  0  0  0            999 V2000
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596   -1.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -1.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -2.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.9975    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -3.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109   -2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -3.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2928   -4.4186    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0427   -5.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608   -4.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -4.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
  3 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257981

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H13O14P3/c6-1-2-3(7)4(8)5(16-2)17-21(12,13)19-22(14,15)18-20(9,10)11/h2-8H,1H2,(H,12,13)(H,14,15)(H2,9,10,11)

> <INCHI_KEY>
GSWQANXOEXVPDI-UHFFFAOYSA-N

> <FORMULA>
C5H13O14P3

> <MOLECULAR_WEIGHT>
390.066

> <EXACT_MASS>
389.951816093

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
27.472737705250132

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.39

> <JCHEM_LOGP>
-3.269367265333333

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.413993176373219

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8716708838988936

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981159710999977

> <JCHEM_POLAR_SURFACE_AREA>
229.73999999999995

> <JCHEM_REFRACTIVITY>
62.57959999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257981
     RDKit          3D
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy...
 35 35  0  0  0  0  0  0  0  0999 V2000
    6.7409   -1.0778   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7545   -0.2850   -0.2950 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.3686    1.2541   -0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843   -1.0768    1.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.2573   -1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514   -0.3972    0.0409 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2121   -1.7468    0.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370    0.7800    1.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -0.2989   -0.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451    0.9769   -0.0067 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2454    1.3390    1.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941    2.3258   -1.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    0.6570    0.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773   -0.3345   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    0.2020   -1.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961   -0.2346   -0.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    0.8211   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340    1.8638    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017   -0.9602    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610   -0.1190    1.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -1.4159    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.4681    1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7046    1.9729   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022   -1.9780    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    1.6353    0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106    2.3834   -1.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -0.7381   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0666   -1.0079   -1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189    1.2174   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935    0.3486   -0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4774    1.9100    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -1.8310    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    0.1565    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -2.4123   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -2.2044    2.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 14  1  0
  3 23  1  0
  4 24  1  0
  8 25  1  0
 12 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
 20 33  1  0
 21 34  1  0
 22 35  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.186   1.175   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -0.615  -1.536   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0       0.011  -2.943   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0       1.418  -2.316   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -1.396  -3.569   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.637  -4.349   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0      -0.268  -5.595   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0       0.978  -6.500   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.514  -4.690   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.173  -6.841   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0      -0.547  -8.248   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0       0.080  -9.655   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.860  -7.622   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.953  -8.874   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.735  -1.536   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       3.770   1.651   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -0.274   4.390   0.000  0.00  0.00           O+0
CONECT    1    2   22                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5   20                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    2                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
CONECT   20    4                                                            
CONECT   21    3                                                            
CONECT   22    1                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

COMPND    HMDB0257981
HETATM    1  O1  UNL     1       6.741  -1.078  -1.112  1.00  0.00           O  
HETATM    2  P1  UNL     1       5.754  -0.285  -0.295  1.00  0.00           P  
HETATM    3  O2  UNL     1       6.369   1.254  -0.064  1.00  0.00           O  
HETATM    4  O3  UNL     1       5.584  -1.077   1.201  1.00  0.00           O  
HETATM    5  O4  UNL     1       4.266  -0.257  -1.128  1.00  0.00           O  
HETATM    6  P2  UNL     1       3.051  -0.397   0.041  1.00  0.00           P  
HETATM    7  O5  UNL     1       3.212  -1.747   0.709  1.00  0.00           O  
HETATM    8  O6  UNL     1       3.337   0.780   1.204  1.00  0.00           O  
HETATM    9  O7  UNL     1       1.512  -0.299  -0.627  1.00  0.00           O  
HETATM   10  P3  UNL     1       0.645   0.977  -0.007  1.00  0.00           P  
HETATM   11  O8  UNL     1       1.245   1.339   1.355  1.00  0.00           O  
HETATM   12  O9  UNL     1       0.894   2.326  -1.009  1.00  0.00           O  
HETATM   13  O10 UNL     1      -0.976   0.657   0.236  1.00  0.00           O  
HETATM   14  C1  UNL     1      -1.477  -0.334  -0.603  1.00  0.00           C  
HETATM   15  O11 UNL     1      -2.486   0.202  -1.353  1.00  0.00           O  
HETATM   16  C2  UNL     1      -3.696  -0.235  -0.903  1.00  0.00           C  
HETATM   17  C3  UNL     1      -4.761   0.821  -0.835  1.00  0.00           C  
HETATM   18  O12 UNL     1      -4.434   1.864   0.000  1.00  0.00           O  
HETATM   19  C4  UNL     1      -3.502  -0.960   0.399  1.00  0.00           C  
HETATM   20  O13 UNL     1      -3.661  -0.119   1.507  1.00  0.00           O  
HETATM   21  C5  UNL     1      -2.050  -1.416   0.272  1.00  0.00           C  
HETATM   22  O14 UNL     1      -1.404  -1.468   1.482  1.00  0.00           O  
HETATM   23  H1  UNL     1       5.705   1.973  -0.124  1.00  0.00           H  
HETATM   24  H2  UNL     1       6.002  -1.978   1.188  1.00  0.00           H  
HETATM   25  H3  UNL     1       3.491   1.635   0.743  1.00  0.00           H  
HETATM   26  H4  UNL     1       0.211   2.383  -1.719  1.00  0.00           H  
HETATM   27  H5  UNL     1      -0.702  -0.738  -1.289  1.00  0.00           H  
HETATM   28  H6  UNL     1      -4.067  -1.008  -1.638  1.00  0.00           H  
HETATM   29  H7  UNL     1      -4.919   1.217  -1.852  1.00  0.00           H  
HETATM   30  H8  UNL     1      -5.693   0.349  -0.469  1.00  0.00           H  
HETATM   31  H9  UNL     1      -3.477   1.910   0.227  1.00  0.00           H  
HETATM   32  H10 UNL     1      -4.169  -1.831   0.493  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.742   0.156   1.794  1.00  0.00           H  
HETATM   34  H12 UNL     1      -2.026  -2.412  -0.188  1.00  0.00           H  
HETATM   35  H13 UNL     1      -1.778  -2.204   2.028  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   23
CONECT    4   24
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   25
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   26
CONECT   13   14
CONECT   14   15   21   27
CONECT   15   16
CONECT   16   17   19   28
CONECT   17   18   29   30
CONECT   18   31
CONECT   19   20   21   32
CONECT   20   33
CONECT   21   22   34
CONECT   22   35
END

HMDB0257981
     RDKit          3D
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy...
 35 35  0  0  0  0  0  0  0  0999 V2000
    6.7409   -1.0778   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7545   -0.2850   -0.2950 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.3686    1.2541   -0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843   -1.0768    1.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.2573   -1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514   -0.3972    0.0409 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2121   -1.7468    0.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370    0.7800    1.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -0.2989   -0.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451    0.9769   -0.0067 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2454    1.3390    1.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941    2.3258   -1.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    0.6570    0.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773   -0.3345   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    0.2020   -1.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961   -0.2346   -0.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    0.8211   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340    1.8638    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017   -0.9602    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610   -0.1190    1.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -1.4159    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.4681    1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7046    1.9729   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022   -1.9780    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    1.6353    0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106    2.3834   -1.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -0.7381   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0666   -1.0079   -1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189    1.2174   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935    0.3486   -0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4774    1.9100    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -1.8310    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    0.1565    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -2.4123   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -2.2044    2.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 14  1  0
  3 23  1  0
  4 24  1  0
  8 25  1  0
 12 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
 20 33  1  0
 21 34  1  0
 22 35  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
({[({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonate	Generator
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphoric acid	Generator

Chemical Formula

C₅H₁₃O₁₄P₃

Average Molecular Weight

390.066

Monoisotopic Molecular Weight

389.951816093

IUPAC Name

({[({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OCC1OC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O

InChI Identifier

InChI=1S/C5H13O14P3/c6-1-2-3(7)4(8)5(16-2)17-21(12,13)19-22(14,15)18-20(9,10)11/h2-8H,1H2,(H,12,13)(H,14,15)(H2,9,10,11)

InChI Key

GSWQANXOEXVPDI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentoses

Alternative Parents

Substituents

Pentose monosaccharide
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Oxolane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.39	ALOGPS
logP	-3.3	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	0.87	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	229.74 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	62.58 m³·mol⁻¹	ChemAxon
Polarizability	27.47 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	146.726	30932474
DeepCCS	[M-H]-	143.981	30932474
DeepCCS	[M-2H]-	179.703	30932474
DeepCCS	[M+Na]+	155.292	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate	OCC1OC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O	3931.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate	OCC1OC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O	2461.7	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate	OCC1OC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O	3177.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2891.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2954.7	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4078.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2900.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3081.7	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3934.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2912.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3049.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4017.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O	2932.7	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O	3138.5	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O	3860.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	2950.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3113.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3902.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	2934.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3127.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3846.3	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C1O[Si](C)(C)C	2902.0	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C1O[Si](C)(C)C	3024.7	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C1O[Si](C)(C)C	3883.2	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	2907.9	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	3014.5	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	3991.3	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	2896.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	3043.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	3898.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2914.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3005.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3984.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(CO)C1O	2930.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(CO)C1O	3102.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(CO)C1O	3844.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2879.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2983.5	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3973.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	2954.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	3070.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	3888.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	2936.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	3088.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	3831.9	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O	2927.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O	3119.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O	3826.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	2951.8	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	3087.6	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	3870.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	2934.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	3102.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	3812.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)OP(=O)(OC1OC(CO)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2958.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)OP(=O)(OC1OC(CO)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3144.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)OP(=O)(OC1OC(CO)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3705.3	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2881.4	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2965.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4097.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O	2920.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O	3060.0	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O	3937.9	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2919.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3050.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4042.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2910.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3072.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3950.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2922.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3039.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4032.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C	2908.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C	3069.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C	3923.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2910.8	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3058.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4028.3	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2880.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3027.5	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3692.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2906.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3106.0	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3639.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	2921.9	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3153.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3525.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	2901.0	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	3075.0	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	3613.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2925.4	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3045.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3671.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2903.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3065.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3605.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	2948.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	3120.6	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(CO)C1O	3512.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	2946.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	3138.7	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	3496.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2878.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3010.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3810.7	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2863.7	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3040.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3706.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2880.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3004.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3804.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2909.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3108.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3662.9	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2931.7	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3082.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3722.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2914.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3096.5	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3652.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2900.0	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3116.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3650.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2920.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3092.7	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3709.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2872.7	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3054.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3452.9	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2880.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3022.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3504.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2868.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3041.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3444.3	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2912.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3107.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3356.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2893.0	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3111.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3348.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2899.9	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3078.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	3310.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2891.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3054.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3202.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3637.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3559.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4325.2	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3649.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3707.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4149.1	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3671.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3639.8	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4265.2	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3657.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3762.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	4077.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3693.9	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3699.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	4150.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3667.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3720.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	4078.3	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C1O[Si](C)(C)C(C)(C)C	3645.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C1O[Si](C)(C)C(C)(C)C	3630.6	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C1O[Si](C)(C)C(C)(C)C	4117.9	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3667.0	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3622.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4231.2	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3648.1	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3662.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4119.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3669.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3589.6	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4236.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3663.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3729.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	4053.0	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3632.2	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3596.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4209.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3696.8	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3666.0	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	4125.2	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3670.8	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3688.9	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(CO)C1O	4054.7	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	3658.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	3734.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	4036.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	3693.0	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	3672.3	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	4108.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	3667.9	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	3694.6	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	4037.6	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OC1OC(CO)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3683.7	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OC1OC(CO)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3733.6	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OC1OC(CO)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3927.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3647.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3584.5	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4325.4	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3647.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3682.2	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	4165.5	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3665.4	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3675.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4275.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3649.9	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3706.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4161.8	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3670.6	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3638.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4277.7	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3644.5	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3683.4	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	4153.2	Standard polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3664.3	Semi standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3674.1	Standard non polar	33892256
[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4263.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9262000000-5d99750887ddae810884	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

13718114

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for [(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate (HMDB0257981)

MOL for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

3D MOL for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

3D SDF for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

3D-SDF for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

PDB for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

3D PDB for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

SMILES for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

INCHI for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

Structure for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

3D Structure for HMDB0257981 ([(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra