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Search term: OVPRPPOVAXRCED-WVZVXSGGSA-K (Found by InChIKey (full match))

ChemSpider 2D Image | 2-dehydro-3-deoxy-6-phosphonato-D-gluconate(3-) | C6H8O9P

2-dehydro-3-deoxy-6-phosphonato-D-gluconate(3-)

  • Molecular FormulaC6H8O9P
  • Average mass255.098 Da
  • Monoisotopic mass254.992233 Da
  • ChemSpider ID26330834
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-dehydro-3-deoxy-6-phosphonato-D-gluconate(3-)
3-Deoxy-6-O-phosphonato-D-erythro-hex-2-ulosonate [ACD/IUPAC Name]
3-Désoxy-6-O-phosphonato-D-érythro-hex-2-ulosonate [French] [ACD/IUPAC Name]
D-erythro-2-Hexulosonic acid, 3-deoxy-, 6-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
(4S,5R)-4,5-dihydroxy-2-oxo-6-(phosphonatooxy)hexanoate
2-dehydro-3-deoxy-6-phospho-D-gluconate
2-keto-3-deoxy-6-phosphonato-D-gluconate(3-)

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

CHEBI:57569 [DBID]
6714585 [DBID]
  • Miscellaneous
    • Chemical Class:

      An organophosphate oxoanion that is a trianion arising from deprotonation of the carboxylic acid and phosphate groups of 2-dehydro-3-deoxy-6-phospho-D-gluconic acid. ChEBI CHEBI:57569

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 614.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.3±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -8.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

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