ChemSpider 2D Image | 2-O-(alpha-D-glucopyranosyl)-3-O-phosphonato-D-glycerate(3-) | C9H14O12P

2-O-(α-D-glucopyranosyl)-3-O-phosphonato-D-glycerate(3-)

  • Molecular FormulaC9H14O12P
  • Average mass345.176 Da
  • Monoisotopic mass345.023926 Da
  • ChemSpider ID26332783

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-(α-D-Glucopyranosyloxy)-3-(phosphonatooxy)propanoat [German] [ACD/IUPAC Name]
(2R)-2-(α-D-Glucopyranosyloxy)-3-(phosphonatooxy)propanoate [ACD/IUPAC Name]
(2R)-2-(α-D-Glucopyranosyloxy)-3-(phosphonatooxy)propanoate [French] [ACD/IUPAC Name]
2-O-(α-D-glucopyranosyl)-3-O-phosphonato-D-glycerate(3-)
Propanoic acid, 2-(α-D-glucopyranosyloxy)-3-(phosphonooxy)-, ion(3-), (2R)- [ACD/Index Name]
(2R)-2-O-(α-D-glucopyranosyl)-3-phospho-glycerate
2-O-(α-D-glucopyranosyl)-3-O-phospho-D-glycerate
2-O-(α-D-glucopyranosyl)-3-O-phosphonato-D-glycerate
2-O-(α-D-glucopyranosyl)-3-phospho-D-glycerate
2-O-(α-D-glucopyranosyl)-3-phospho-D-glycerate(3-)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:62600 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by removal of the protons from the carboxy and phosphate groups of 2-O-(alpha-D-glucopyranosyl)-3-O-phospho-D-glyceric acid; major species at pH 7.3. ChEBI CHEBI:62600

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 767.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 417.8±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.89
ACD/LogD (pH 5.5): -8.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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