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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:45 UTC
HMDB IDHMDB0014824
Secondary Accession Numbers
  • HMDB14824
Metabolite Identification
Common NamePentosan Polysulfate
DescriptionPentosan Polysulfate, also known as SP 54, tavan or hoe bay 946, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Pentosan Polysulfate is a drug which is used for the relief of bladder pain or discomfort associated with interstitial cystitis. Pentosan Polysulfate is an extremely weak basic (essentially neutral) compound (based on its pKa). Pentosan Polysulfate is a low molecular weight heparin-like compound. Outside of the human body, Pentosan Polysulfate is found, on average, in the highest concentration within tamarinds and figs. Pentosan Polysulfate has also been detected, but not quantified in, garden onions. This could make pentosan polysulfate a potential biomarker for the consumption of these foods. It inhibits the growth of SW13 adrenocortical cells transfected with FGF-4 and tumorigenicity of MCF-7 breast carcinoma cells transfected with FGF-1 or FGF-4. It is a sulfated pentosyl polysaccharide with heparin-like properties. It has been shown to interact also with the heparin-binding site of FGFR-1. It has anticoagulant and fibrinolytic effects. Pentosan Polysulfate is only found in individuals that have used or taken this drug.
Structure
Data?1582753224
Synonyms
ValueSource
Pentosan polysulfuric acidGenerator
Pentosan polysulphateGenerator
Pentosan polysulphuric acidGenerator
Polyester, pentosan sulfuricHMDB
SP 54, TavanHMDB
946, HOE-bayHMDB
FibrocidHMDB
HOE bay 946HMDB
HemoclarHMDB
Polypentose sulfateHMDB
Polysulfate sodium, pentosanHMDB
Sulfate, xylanHMDB
Sulfuric polyester, pentosaneHMDB
Polyester, pentosane sulfuricHMDB
Polysulfate, pentosanHMDB
Sodium, pentosan polysulfateHMDB
Xylan SP54HMDB
HOE-bay-946HMDB
Pentosan sulfuric polyesterHMDB
Polysulphate sodium, pentosanHMDB
SP54, XylanHMDB
Sulfuric polyester, pentosanHMDB
Xylan, polysulfatedHMDB
ElmironHMDB
PZ-68HMDB
Polysulfated xylanHMDB
Sodium, pentosan polysulphateHMDB
Xylan sulfateHMDB
BAY 946HMDB
BAY-946HMDB
HOE-bay 946HMDB
Pentosan polysulfate sodiumHMDB
SP-54HMDB
Sulfate, polypentoseHMDB
54, Tavan SPHMDB
HOE 946HMDB
HOE-946HMDB
PZ 68HMDB
Pentosan polysulphate sodiumHMDB
Pentosane sulfuric polyesterHMDB
SP 54HMDB
Tavan SP 54HMDB
[(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonateHMDB
[(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulphooxy)oxan-2-yl]oxy}-4-(sulphooxy)oxan-3-yl]oxidanesulphonateHMDB
[(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulphooxy)oxan-2-yl]oxy}-4-(sulphooxy)oxan-3-yl]oxidanesulphonic acidHMDB
Pentosan polysulfateMeSH
Chemical FormulaC10H18O21S4
Average Molecular Weight602.497
Monoisotopic Molecular Weight601.922340398
IUPAC Name[(2S,3R,4S,5R)-5-hydroxy-2-{[(3R,4S,5R,6R)-6-hydroxy-4,5-bis(sulfooxy)oxan-3-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
Traditional Namepentosan polysulfate
CAS Registry Number37300-21-3
SMILES
O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O
InChI Identifier
InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
InChI KeyFCCNSUIJIOOXEZ-SJYYZXOBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • Disaccharide
  • O-glycosyl compound
  • Oxane
  • Sulfuric acid ester
  • Alkyl sulfate
  • Sulfate-ester
  • Sulfuric acid monoester
  • Organic sulfuric acid or derivatives
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Acetal
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility3.49 g/LNot Available
LogP-8Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.49 g/LALOGPS
logP-2.5ALOGPS
logP-11ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)-2.9ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area322.55 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity96.38 m³·mol⁻¹ChemAxon
Polarizability46.17 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+209.82530932474
DeepCCS[M-H]-208.030932474
DeepCCS[M-2H]-241.82430932474
DeepCCS[M+Na]+215.69830932474
AllCCS[M+H]+210.932859911
AllCCS[M+H-H2O]+209.532859911
AllCCS[M+NH4]+212.132859911
AllCCS[M+Na]+212.432859911
AllCCS[M-H]-199.832859911
AllCCS[M+Na-2H]-200.432859911
AllCCS[M+HCOO]-201.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Pentosan PolysulfateO[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O5689.8Standard polar33892256
Pentosan PolysulfateO[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O3179.9Standard non polar33892256
Pentosan PolysulfateO[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O4262.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pentosan Polysulfate,1TMS,isomer #1C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3843.0Semi standard non polar33892256
Pentosan Polysulfate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3811.0Semi standard non polar33892256
Pentosan Polysulfate,1TMS,isomer #3C[Si](C)(C)OS(=O)(=O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)CO[C@H]1O3885.9Semi standard non polar33892256
Pentosan Polysulfate,1TMS,isomer #4C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)CO[C@@H](O)[C@@H]1OS(=O)(=O)O3884.1Semi standard non polar33892256
Pentosan Polysulfate,1TMS,isomer #5C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)OC[C@@H](O)[C@@H]1OS(=O)(=O)O3885.5Semi standard non polar33892256
Pentosan Polysulfate,1TMS,isomer #6C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O3882.0Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3785.9Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #10C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)CO[C@@H](O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C3913.7Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #11C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O3913.7Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #12C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)OC[C@@H](O)[C@@H]1OS(=O)(=O)O3916.4Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #13C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O3911.2Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #14C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)CO[C@@H](O)[C@@H]1OS(=O)(=O)O3913.8Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #15C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C3911.6Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #2C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3855.2Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3851.7Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #4C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3848.5Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #5C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3850.0Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #6C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3828.8Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #7C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3828.3Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #8C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3825.3Semi standard non polar33892256
Pentosan Polysulfate,2TMS,isomer #9C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3829.1Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3784.2Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4832.2Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O7427.4Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3852.7Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C4938.7Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C7424.2Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3841.4Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4917.4Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O7330.3Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3845.0Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O4916.6Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O7331.4Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3842.8Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C4916.8Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C7330.2Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3839.7Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O4917.6Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O7328.7Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #15C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3837.3Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #15C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C4917.7Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #15C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C7327.5Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3839.5Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C4917.4Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C7328.6Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #17C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O3922.1Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #17C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O4952.0Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #17C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O7333.7Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #18C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)CO[C@@H](O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C3919.6Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #18C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)CO[C@@H](O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C4953.0Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #18C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)CO[C@@H](O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C7331.2Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #19C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C3919.6Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #19C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C4952.5Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #19C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C7331.9Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3783.1Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4831.6Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O7425.7Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #20C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O[Si](C)(C)C3915.5Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #20C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O[Si](C)(C)C4952.5Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #20C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O[Si](C)(C)C7330.6Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3786.4Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O4832.0Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O7427.4Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3784.5Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C4831.8Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C7426.0Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3861.9Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4938.5Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O7427.6Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3860.0Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O4938.4Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O7426.1Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3861.0Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C4938.4Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C7427.5Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3855.0Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O4938.6Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O7424.2Standard polar33892256
Pentosan Polysulfate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3856.5Semi standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C4938.6Standard non polar33892256
Pentosan Polysulfate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C7425.6Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O3802.8Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O5051.4Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O6843.6Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3834.0Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C5101.2Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C6876.6Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #11C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3825.8Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #11C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O5083.1Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #11C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O6788.1Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #12C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3822.8Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #12C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C5084.2Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #12C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C6787.1Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #13C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3825.8Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #13C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C5082.8Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #13C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C6788.2Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #14C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3818.3Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #14C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C5083.6Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #14C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C6783.7Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #15C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O[Si](C)(C)C3880.5Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #15C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O[Si](C)(C)C5089.9Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #15C[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@@H]1OS(=O)(=O)O[Si](C)(C)C6835.1Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3806.5Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O5050.7Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #2C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O6845.3Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3803.9Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C5051.2Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C6843.8Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3804.8Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O5051.3Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O6843.5Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3802.4Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C5051.7Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C6842.0Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3804.5Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C5051.3Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C6843.8Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O3840.9Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O5102.0Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O6879.8Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #8C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C3842.0Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #8C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C5101.9Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #8C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O[Si](C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C6881.2Standard polar33892256
Pentosan Polysulfate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C3839.7Semi standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C5102.0Standard non polar33892256
Pentosan Polysulfate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C)[C@H]1OS(=O)(=O)O[Si](C)(C)C6879.7Standard polar33892256
Pentosan Polysulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4015.1Semi standard non polar33892256
Pentosan Polysulfate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4001.7Semi standard non polar33892256
Pentosan Polysulfate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)CO[C@H]1O4134.4Semi standard non polar33892256
Pentosan Polysulfate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)CO[C@@H](O)[C@@H]1OS(=O)(=O)O4129.8Semi standard non polar33892256
Pentosan Polysulfate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)OC[C@@H](O)[C@@H]1OS(=O)(=O)O4133.0Semi standard non polar33892256
Pentosan Polysulfate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O4129.5Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4117.9Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)CO[C@@H](O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C(C)(C)C4299.3Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O4298.8Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]2OS(=O)(=O)O)OC[C@@H](O)[C@@H]1OS(=O)(=O)O4299.3Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H]1OS(=O)(=O)O4295.8Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CO[C@@H](O)[C@@H]1OS(=O)(=O)O4296.0Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O[Si](C)(C)C(C)(C)C4294.5Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4198.5Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4195.2Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]1OS(=O)(=O)O4191.6Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C(C)(C)C4192.5Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4197.1Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O4197.5Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]1OS(=O)(=O)O4192.5Semi standard non polar33892256
Pentosan Polysulfate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O[Si](C)(C)C(C)(C)C4194.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ffc-1352290000-21c35dc5952469d74b702017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (1 TMS) - 70eV, Positivesplash10-05vo-7531169000-bff61bd1bd45c07aea0c2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosan Polysulfate GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 10V, Positive-QTOFsplash10-0uec-0161193000-2751c8c17ef9495f99d72016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 20V, Positive-QTOFsplash10-0ik9-0082390000-473869e5985da4cdd0532016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 40V, Positive-QTOFsplash10-0229-5976210000-a983df365421163dd7542016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 10V, Negative-QTOFsplash10-0udl-0097087000-07678829971646c283db2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 20V, Negative-QTOFsplash10-0a4l-3095270000-2e87e56a811da32a40ef2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 40V, Negative-QTOFsplash10-056u-2093000000-21f66039d5f58443945b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 10V, Positive-QTOFsplash10-0ue9-0000059000-e41c7a5a172dd9324c882021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 20V, Positive-QTOFsplash10-0f6x-1002963000-1171509fcd529c8c9ae32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 40V, Positive-QTOFsplash10-08fr-4391630000-3b32f4c90d62b34042282021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 10V, Negative-QTOFsplash10-0udi-0000009000-fac4fa4f0178ca765a7b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 20V, Negative-QTOFsplash10-0udj-2891748000-198e5bae2d5eb351d93b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosan Polysulfate 40V, Negative-QTOFsplash10-000t-9110110000-3fe9c34f531be0d820372021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00686 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00686 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00686
Phenol Explorer Compound IDNot Available
FooDB IDFDB019140
KNApSAcK IDNot Available
Chemspider ID34595
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPentosan polysulfate
METLIN IDNot Available
PubChem Compound37720
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 ReferencesNot Available

Enzymes

General function:
Involved in growth factor activity
Specific function:
The heparin-binding growth factors are angiogenic agents in vivo and are potent mitogens for a variety of cell types in vitro. There are differences in the tissue distribution and concentration of these 2 growth factors
Gene Name:
FGF2
Uniprot ID:
P09038
Molecular weight:
30769.7
References
  1. Zugmaier G, Favoni R, Jaeger R, Rosen N, Knabbe C: Polysulfated heparinoids selectively inactivate heparin-binding angiogenesis factors. Ann N Y Acad Sci. 1999;886:243-8. [PubMed:10667230 ]
  2. Mucha S, Melen-Mucha G, Stepien T, Godlewski A, Stepien H: Effects of pentosan polysulfate sodium on the estrogen-induced pituitary prolactinoma in Fischer 344 rats. Oncol Rep. 2002 Nov-Dec;9(6):1385-9. [PubMed:12375053 ]
  3. Pluda JM, Shay LE, Foli A, Tannenbaum S, Cohen PJ, Goldspiel BR, Adamo D, Cooper MR, Broder S, Yarchoan R: Administration of pentosan polysulfate to patients with human immunodeficiency virus-associated Kaposi's sarcoma. J Natl Cancer Inst. 1993 Oct 6;85(19):1585-92. [PubMed:7692072 ]
  4. McLeskey SW, Zhang L, Kharbanda S, Kurebayashi J, Lippman ME, Dickson RB, Kern FG: Fibroblast growth factor overexpressing breast carcinoma cells as models of angiogenesis and metastasis. Breast Cancer Res Treat. 1996;39(1):103-17. [PubMed:8738610 ]
  5. Jerebtsova M, Wong E, Przygodzki R, Tang P, Ray PE: A novel role of fibroblast growth factor-2 and pentosan polysulfate in the pathogenesis of intestinal bleeding in mice. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H743-50. Epub 2006 Oct 27. [PubMed:17071728 ]
General function:
Involved in fibroblast growth factor receptor binding
Specific function:
The heparin-binding growth factors are angiogenic agents in vivo and are potent mitogens for a variety of cell types in vitro. There are differences in the tissue distribution and concentration of these 2 growth factors
Gene Name:
FGF1
Uniprot ID:
P05230
Molecular weight:
17459.6
References
  1. Pascu C, Ljungh A, Wadstrom T: Staphylococci bind heparin-binding host growth factors. Curr Microbiol. 1996 Apr;32(4):201-7. [PubMed:8867461 ]
  2. Zenjari C, Boilly-Marer Y, Desbiens X, Oudghir M, Hondermarck H, Boilly B: Experimental evidence for FGF-1 control of blastema cell proliferation during limb regeneration of the amphibian Pleurodeles waltl. Int J Dev Biol. 1996 Oct;40(5):965-71. [PubMed:8946244 ]
  3. Jerebtsova M, Wong E, Przygodzki R, Tang P, Ray PE: A novel role of fibroblast growth factor-2 and pentosan polysulfate in the pathogenesis of intestinal bleeding in mice. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H743-50. Epub 2006 Oct 27. [PubMed:17071728 ]
General function:
Involved in growth factor activity
Specific function:
Can transform NIH 3T3 cells from a human stomach tumor (hst) and from karposi's sarcoma (KS3). It has a mitogenic activity
Gene Name:
FGF4
Uniprot ID:
P08620
Molecular weight:
22047.4
References
  1. Zugmaier G, Lippman ME, Wellstein A: Inhibition by pentosan polysulfate (PPS) of heparin-binding growth factors released from tumor cells and blockage by PPS of tumor growth in animals. J Natl Cancer Inst. 1992 Nov 18;84(22):1716-24. [PubMed:1279186 ]
  2. McLeskey SW, Zhang L, Kharbanda S, Kurebayashi J, Lippman ME, Dickson RB, Kern FG: Fibroblast growth factor overexpressing breast carcinoma cells as models of angiogenesis and metastasis. Breast Cancer Res Treat. 1996;39(1):103-17. [PubMed:8738610 ]
  3. Wellstein A, Zugmaier G, Califano JA 3rd, Kern F, Paik S, Lippman ME: Tumor growth dependent on Kaposi's sarcoma-derived fibroblast growth factor inhibited by pentosan polysulfate. J Natl Cancer Inst. 1991 May 15;83(10):716-20. [PubMed:1708834 ]