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Showing metabocard for (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid (HMDB0247881)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 01:02:08 UTC
Update Date2021-09-26 22:57:48 UTC
HMDB IDHMDB0247881
Secondary Accession NumbersNone
Metabolite Identification
Common Name(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid
DescriptionHexopyranuronic acid, also known as calcium pectate or galacturonan, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Based on a literature review a significant number of articles have been published on Hexopyranuronic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2r,3r,4r,5s,6s)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)


  Mrv1652308201920222D          

 13 13  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
Download

3D MOL for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)

HMDB0247881
     RDKit          3D
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.2273   -0.8772    0.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659    0.0428   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.0425   -0.7369 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199    0.0929    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5950    1.2071   -0.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    1.4010   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    2.6728   -0.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    0.3151   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    0.5074   -0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508   -1.0073   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827   -0.9772    1.3317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -1.1419   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333   -2.2799    0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401    1.8833   -0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501    0.2170    1.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591    1.2949    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.7115   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    0.2898   -1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3511   -0.3700   -0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6251   -1.8713   -0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -1.7842    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4605   -1.2277   -1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923   -2.1415    1.0689 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  4  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END
Download

3D SDF for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)


  Mrv1652308201920222D          

 13 13  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247881

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1OC(C(O)C(O)C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)

> <INCHI_KEY>
AEMOLEFTQBMNLQ-UHFFFAOYSA-N

> <FORMULA>
C6H10O7

> <MOLECULAR_WEIGHT>
194.139

> <EXACT_MASS>
194.042652662

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
16.425355010359613

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-2.61226468

> <ALOGPS_LOGS>
0.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.309229286068723

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2077910586517073

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6863365702254773

> <JCHEM_POLAR_SURFACE_AREA>
127.45

> <JCHEM_REFRACTIVITY>
35.7908

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.95e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-galacturonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)

HMDB0247881
     RDKit          3D
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.2273   -0.8772    0.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659    0.0428   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.0425   -0.7369 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199    0.0929    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5950    1.2071   -0.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    1.4010   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    2.6728   -0.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    0.3151   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    0.5074   -0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508   -1.0073   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827   -0.9772    1.3317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -1.1419   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333   -2.2799    0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401    1.8833   -0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501    0.2170    1.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591    1.2949    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.7115   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    0.2898   -1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3511   -0.3700   -0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6251   -1.8713   -0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -1.7842    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4605   -1.2277   -1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923   -2.1415    1.0689 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  4  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END
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PDB for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)

HEADER    PROTEIN                                 20-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-AUG-19         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    3    7                                                  
CONECT    2    1    4    8                                                  
CONECT    3    1    6    9                                                  
CONECT    4    2    5   13                                                  
CONECT    5    4   10   11                                                  
CONECT    6    3   12   13                                                  
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    5                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    4    6                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)

COMPND    HMDB0250749
HETATM    1  O1  UNL     1       2.404  -1.731   1.570  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.308  -1.021   0.537  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.501  -0.583  -0.024  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.974  -0.692  -0.019  1.00  0.00           C  
HETATM    5  O3  UNL     1      -0.001  -1.268   0.756  1.00  0.00           O  
HETATM    6  C3  UNL     1      -1.282  -1.023   0.340  1.00  0.00           C  
HETATM    7  O4  UNL     1      -1.689  -1.806  -0.736  1.00  0.00           O  
HETATM    8  C4  UNL     1      -1.565   0.429   0.043  1.00  0.00           C  
HETATM    9  O5  UNL     1      -1.523   1.098   1.287  1.00  0.00           O  
HETATM   10  C5  UNL     1      -0.509   1.054  -0.840  1.00  0.00           C  
HETATM   11  O6  UNL     1      -0.538   0.437  -2.084  1.00  0.00           O  
HETATM   12  C6  UNL     1       0.830   0.810  -0.151  1.00  0.00           C  
HETATM   13  O7  UNL     1       0.747   1.440   1.094  1.00  0.00           O  
HETATM   14  H1  UNL     1       4.122   0.040   0.476  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.880  -1.106  -1.048  1.00  0.00           H  
HETATM   16  H3  UNL     1      -1.965  -1.299   1.196  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.076  -2.666  -0.429  1.00  0.00           H  
HETATM   18  H5  UNL     1      -2.542   0.517  -0.445  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.467   1.224   1.562  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.718   2.125  -0.903  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.481   0.410  -2.377  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.670   1.198  -0.726  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.917   2.412   0.920  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5   12   15
CONECT    5    6
CONECT    6    7    8   16
CONECT    7   17
CONECT    8    9   10   18
CONECT    9   19
CONECT   10   11   12   20
CONECT   11   21
CONECT   12   13   22
CONECT   13   23
END
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SMILES for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)

OC1OC(C(O)C(O)C1O)C(O)=O
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INCHI for HMDB0247881 ((2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid)

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
HexopyranuronateGenerator
Calcium pectateMeSH
Calcium polygalacturonateMeSH
GalacturonanMeSH
HomogalacturonanMeSH
PectateMeSH
Pectic acidMeSH
Polygalacturonic acidMeSH
Polygalacturonic acid homopolymerMeSH
Polygalacturonic acid, aluminum saltMeSH
Polygalacturonic acid, calcium saltMeSH
Polygalacturonic acid, homopolymer (D)-isomerMeSH
Polygalacturonic acid, homopolymer sodium saltMeSH
Polygalacturonic acid, sulfatedMeSH
Sodium pectateMeSH
Sodium polygalacturonateMeSH
3,4,5,6-Tetrahydroxyoxane-2-carboxylateGenerator, HMDB
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylateGenerator
Chemical FormulaC6H10O7
Average Molecular Weight194.139
Monoisotopic Molecular Weight194.042652662
IUPAC Name3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Traditional NameD-galacturonic acid
CAS Registry NumberNot Available
SMILES
OC1OC(C(O)C(O)C1O)C(O)=O
InChI Identifier
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
InChI KeyAEMOLEFTQBMNLQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyran
  • Monosaccharide
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.3ALOGPS
logP-2.6ChemAxon
logS0.18ALOGPS
pKa (Strongest Acidic)3.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.79 m³·mol⁻¹ChemAxon
Polarizability16.43 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+133.90830932474
DeepCCS[M-H]-130.0830932474
DeepCCS[M-2H]-167.58530932474
DeepCCS[M+Na]+143.12530932474
AllCCS[M+H]+143.532859911
AllCCS[M+H-H2O]+139.332859911
AllCCS[M+NH4]+147.332859911
AllCCS[M+Na]+148.532859911
AllCCS[M-H]-133.032859911
AllCCS[M+Na-2H]-133.632859911
AllCCS[M+HCOO]-134.532859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #1C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O1968.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #1C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O1591.4Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #1C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O3493.2Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #2C[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O1939.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #2C[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O1563.8Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #2C[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O3521.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #3C[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1O1974.3Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #3C[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1O1575.1Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #3C[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1O3483.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #4C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O1973.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #4C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O1572.9Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #4C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O3530.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O1894.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O1599.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O3734.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O1895.8Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O1720.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O2745.1Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O1883.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O1724.1Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O2844.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #2C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O1934.2Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #2C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O1718.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #2C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O2695.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #3C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O1934.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #3C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O1738.0Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #3C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O2704.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C1950.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C1723.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C2707.7Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C1868.4Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C1710.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C2804.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #6C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C)C1O1916.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #6C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C)C1O1716.7Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #6C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C)C1O2826.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O[Si](C)(C)C1897.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O[Si](C)(C)C1717.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O[Si](C)(C)C2713.3Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #8C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O[Si](C)(C)C1916.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #8C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O[Si](C)(C)C1725.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #8C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O[Si](C)(C)C2762.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O1867.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O1714.9Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O2781.2Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O1883.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O1846.0Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2358.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1868.8Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1858.9Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2430.9Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O1880.4Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O1857.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2393.9Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C1880.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C1841.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2360.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1934.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1851.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2337.5Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #5C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1952.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #5C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1857.8Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #5C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2389.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #6C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1972.8Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #6C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1843.6Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #6C[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2338.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1889.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1870.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2498.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1860.5Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1838.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2366.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #9C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1933.4Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #9C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1853.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TMS,isomer #9C[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2394.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1899.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1926.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2105.3Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1902.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1968.6Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2154.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1889.5Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1943.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2109.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1967.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1907.0Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #4C[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2064.2Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1903.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1960.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2164.3Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1935.4Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1971.6Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1902.9Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O2209.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O1847.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O3421.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O2201.0Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O1812.0Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O3466.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1O2231.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1O1833.0Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1O3425.3Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O2228.2Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O1823.8Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O3470.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O2164.4Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O1850.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O3527.2Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O2358.0Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O2195.7Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O2779.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2343.3Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2204.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2854.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2375.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2183.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2784.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2400.2Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2186.1Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2785.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2390.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2182.7Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2786.5Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2325.3Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2172.7Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2820.1Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O2387.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O2186.6Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O2885.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O[Si](C)(C)C(C)(C)C2356.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O[Si](C)(C)C(C)(C)C2171.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(O)C(O)C1O[Si](C)(C)C(C)(C)C2792.3Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C2397.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C2184.1Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C2830.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2341.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2185.9Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2808.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2528.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2484.9Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2641.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2561.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2505.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2685.1Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2545.8Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2482.4Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2651.1Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2531.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2496.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2642.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2590.8Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2456.8Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2628.3Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2584.9Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2493.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2671.4Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2591.7Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2450.7Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2628.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2552.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2527.4Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2733.8Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2531.0Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2479.5Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2646.6Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2577.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2483.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2674.5Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2744.4Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2678.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2538.9Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2756.3Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2758.4Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2577.2Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2759.3Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2702.2Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2543.2Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2785.5Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2634.8Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2518.1Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2788.1Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2732.7Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2580.0Standard polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2920.6Semi standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2863.3Standard non polar33892256
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2504.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (5 TMS) - 70eV, Positivesplash10-000l-6242950000-7b610ed98440b47c2a322017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6s-5900000000-4145d7dbe91803d8047f2017-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 10V, Positive-QTOFsplash10-004j-0900000000-580b96de2b78621ac6452019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 20V, Positive-QTOFsplash10-056s-1900000000-5b29218582cf3ee829fd2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 40V, Positive-QTOFsplash10-0a4r-9400000000-2aa876e0cbcc0ef3bddf2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 10V, Negative-QTOFsplash10-0007-0900000000-5e77c9eef959f8dfe0bf2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 20V, Negative-QTOFsplash10-0035-3900000000-97b32d589162947b3a112019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 40V, Negative-QTOFsplash10-052f-9100000000-23aa5a5d3545ff8b0f902019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 10V, Negative-QTOFsplash10-0006-3900000000-64f3d0eb26f7bc8ca6242021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 20V, Negative-QTOFsplash10-0a73-9300000000-329488f791f643b1c3082021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 40V, Negative-QTOFsplash10-0a4l-9000000000-474e82a5911096bc3b392021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 10V, Positive-QTOFsplash10-0002-0900000000-2877a7e6d3ecd32cf1722021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 20V, Positive-QTOFsplash10-000b-7900000000-d748e59637b495442c9e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid 40V, Positive-QTOFsplash10-03dl-9100000000-40ac961f184de816ed862021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB086706
KNApSAcK IDNot Available
Chemspider ID590
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound610
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]