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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 06:20:39 UTC
Update Date2022-03-07 03:18:00 UTC
HMDB IDHMDB0062800
Secondary Accession Numbers
  • HMDB62800
Metabolite Identification
Common Name6-phosphonatooxy-D-gluconate
Description2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563866362
Synonyms
ValueSource
2,3,4,5-Tetrahydroxy-6-(phosphonooxy)hexanoateGenerator
6-Phosphonatooxy-D-gluconic acidGenerator
6-Phospho-D-gluconateHMDB
6-Phospho-D-gluconic acidHMDB
Chemical FormulaC6H13O10P
Average Molecular Weight276.134
Monoisotopic Molecular Weight276.024633617
IUPAC Name2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid
Traditional Name6-phosphogluconate
CAS Registry NumberNot Available
SMILES
OC(COP(O)(O)=O)C(O)C(O)C(O)C(O)=O
InChI Identifier
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)
InChI KeyBIRSGZKFKXLSJQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Monoalkyl phosphate
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Alkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Carboxylic acid
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility73.6 g/lALOGPS
LogP-1.79ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.3ALOGPS
logP-3.5ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area184.98 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity49.14 m³·mol⁻¹ChemAxon
Polarizability21.34 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
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]+146.12130932474
DeepCCS[M-H]-143.76330932474
DeepCCS[M-2H]-177.15430932474
DeepCCS[M+Na]+152.62530932474
AllCCS[M+H]+158.332859911
AllCCS[M+H-H2O]+155.132859911
AllCCS[M+NH4]+161.332859911
AllCCS[M+Na]+162.132859911
AllCCS[M-H]-149.532859911
AllCCS[M+Na-2H]-149.932859911
AllCCS[M+HCOO]-150.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-phosphonatooxy-D-gluconateOC(COP(O)(O)=O)C(O)C(O)C(O)C(O)=O3565.0Standard polar33892256
6-phosphonatooxy-D-gluconateOC(COP(O)(O)=O)C(O)C(O)C(O)C(O)=O2063.3Standard non polar33892256
6-phosphonatooxy-D-gluconateOC(COP(O)(O)=O)C(O)C(O)C(O)C(O)=O2398.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-phosphonatooxy-D-gluconate,1TMS,isomer #1C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)C(O)C(=O)O2449.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TMS,isomer #2C[Si](C)(C)OC(C(O)COP(=O)(O)O)C(O)C(O)C(=O)O2455.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TMS,isomer #3C[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)COP(=O)(O)O2460.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TMS,isomer #4C[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)COP(=O)(O)O2461.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TMS,isomer #5C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)COP(=O)(O)O2431.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TMS,isomer #6C[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)C(O)C(=O)O2444.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #1C[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O2483.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #10C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O2454.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #11C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O2424.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #12C[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2458.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #13C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(O)COP(=O)(O)O2441.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #14C[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2473.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #15C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2442.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #16C[Si](C)(C)OP(=O)(OCC(O)C(O)C(O)C(O)C(=O)O)O[Si](C)(C)C2461.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #2C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O2460.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #3C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O2478.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #4C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2453.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #5C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C(O)C(=O)O2476.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #6C[Si](C)(C)OC(C(O)COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C(=O)O2449.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #7C[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2461.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #8C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2444.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TMS,isomer #9C[Si](C)(C)OC(C(O)COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C(=O)O2464.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #1C[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O2447.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #10C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2409.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #11C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C(O)C(=O)O2396.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #12C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2436.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #13C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2391.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #14C[Si](C)(C)OC(C(O)COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O2433.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #15C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2401.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #16C[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2452.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #17C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2419.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #18C[Si](C)(C)OC(C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C(=O)O2385.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #19C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O2388.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #2C[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O2471.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #20C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2430.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #21C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2392.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #22C[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2353.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #23C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2376.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #24C[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2367.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #25C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2357.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2430.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #4C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(=O)O2458.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #5C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2449.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #6C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2407.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #7C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(=O)O2446.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #8C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2416.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TMS,isomer #9C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(=O)O2470.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #1C[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2385.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #10C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2375.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #11C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(=O)O2358.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #12C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2377.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #13C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(=O)O2395.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #14C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2359.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #15C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2342.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #16C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2373.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #17C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2362.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #18C[Si](C)(C)OC(C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O2350.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #19C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2374.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #2C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2355.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #20C[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2392.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #21C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2395.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #22C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2351.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #23C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2361.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #24C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2367.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #25C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2350.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #3C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O2371.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2362.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #5C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O2399.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #6C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2379.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #7C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(=O)O2377.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #8C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2344.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TMS,isomer #9C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2388.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2312.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #10C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2381.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #11C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2367.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #12C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2332.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #13C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2377.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #14C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2363.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #15C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2378.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #16C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2352.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #2C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2366.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2334.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #4C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O2354.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #5C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2348.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #6C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O2393.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #7C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2365.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #8C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2338.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TMS,isomer #9C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2376.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2309.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2396.9Standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2730.8Standard polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #2C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2356.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #2C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2394.2Standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #2C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2633.6Standard polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2328.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2412.5Standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2624.1Standard polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2329.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2412.4Standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2627.6Standard polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #5C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2329.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #5C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2415.1Standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #5C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2645.9Standard polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #6C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2322.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #6C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2407.6Standard non polar33892256
6-phosphonatooxy-D-gluconate,6TMS,isomer #6C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2631.5Standard polar33892256
6-phosphonatooxy-D-gluconate,7TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2355.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,7TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2458.1Standard non polar33892256
6-phosphonatooxy-D-gluconate,7TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2558.2Standard polar33892256
6-phosphonatooxy-D-gluconate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)C(O)C(=O)O2703.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O)O)C(O)C(O)C(=O)O2711.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)COP(=O)(O)O2701.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)COP(=O)(O)O2705.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)COP(=O)(O)O2681.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)C(O)C(=O)O2676.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O2904.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O2857.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O2819.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2860.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)COP(=O)(O)O2841.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2867.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2852.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OCC(O)C(O)C(O)C(O)C(=O)O)O[Si](C)(C)C(C)(C)C2852.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2863.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2892.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2854.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(=O)O2893.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2860.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2862.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2847.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O2893.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2966.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3004.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(=O)O3020.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2958.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2951.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2995.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2978.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3025.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3021.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O3025.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O2940.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2992.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2984.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2980.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2987.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2987.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3003.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2999.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3005.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O3023.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2959.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2951.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2999.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2992.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O3031.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(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)C(=O)O3125.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3159.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O3165.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3161.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O3187.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3168.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(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)C(O)COP(=O)(O)O3124.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3147.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3154.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O3163.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3171.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3136.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3197.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3185.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3122.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3135.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3139.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3152.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(COP(=O)(O)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)C(O)C(=O)O3146.8Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3147.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O3186.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3173.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O3184.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3129.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O3153.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(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)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3303.6Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3364.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3363.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(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)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3330.7Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3353.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3344.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3365.3Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3323.1Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(COP(=O)(O)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)C(O[Si](C)(C)C(C)(C)C)C(=O)O3347.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3345.0Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O3366.5Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3359.9Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O3389.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3372.2Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3340.4Semi standard non polar33892256
6-phosphonatooxy-D-gluconate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O3359.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-phosphonatooxy-D-gluconate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-phosphonatooxy-D-gluconate 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 - 6-phosphonatooxy-D-gluconate 10V, Positive-QTOFsplash10-056r-2590000000-d66fe675f87c3dc06c462019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 20V, Positive-QTOFsplash10-0a4m-9810000000-ef77038c04200a4c7a242019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 40V, Positive-QTOFsplash10-06vj-9300000000-f016a48dc58776ce87332019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 10V, Negative-QTOFsplash10-00b9-9730000000-e8a1db94346025788a352019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 20V, Negative-QTOFsplash10-004i-9200000000-134f2a88a696fe3770572019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 40V, Negative-QTOFsplash10-004i-9000000000-f548676dc8feb6acf0972019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 10V, Negative-QTOFsplash10-0a70-3190000000-97f477f7cb6e9779c5ed2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 20V, Negative-QTOFsplash10-0002-9100000000-6cfa60f6a3c0a6ad46802021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 40V, Negative-QTOFsplash10-004i-9000000000-9bbc041a48805948beff2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 10V, Positive-QTOFsplash10-004i-2790000000-6227f8270e7ff4db8cca2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 20V, Positive-QTOFsplash10-0002-9100000000-04fcb78cfc15514330b82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-phosphonatooxy-D-gluconate 40V, Positive-QTOFsplash10-0002-9000000000-5d72636efd88183ee6f22021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound422
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