ChemSpider 2D Image | 3-Deoxy-6-O-phosphonato-D-threo-hex-2-ulosonate | C6H8O9P

3-Deoxy-6-O-phosphonato-D-threo-hex-2-ulosonate

  • Molecular FormulaC6H8O9P
  • Average mass255.098 Da
  • Monoisotopic mass254.992233 Da
  • ChemSpider ID26331111

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Deoxy-6-O-phosphonato-D-threo-hex-2-ulosonate [ACD/IUPAC Name]
3-Désoxy-6-O-phosphonato-D-thréo-hex-2-ulosonate [French] [ACD/IUPAC Name]
6-phosphonato-2-dehydro-3-deoxy-D-galactate(3-)
D-threo-2-Hexulosonic acid, 3-deoxy-, 6-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
(4R,5R)-4,5-dihydroxy-2-oxo-6-(phosphonatooxy)hexanoate
2-dehydro-3-deoxy-6-phospho-D-galactonate
2-dehydro-3-deoxy-D-galactonate 6-phosphate
2-dehydro-3-deoxy-D-galactonate-6-phosphate
2-keto-3-deoxy-D-galactonate 6-phosphate
2-keto-3-deoxy-D-galactonate-6-phosphate
More...

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

CHEBI:58298 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is a trianion obtained via deprotonation of the carboxy and phosphate OH groups of 6-phospho-2-dehydro-3-deoxy-D-galactonic acid; major species at pH ; 7.3. ChEBI CHEBI:58298
      An organophosphate oxoanion that is a trianion obtained via deprotonation of the carboxy and phosphate OH groups of 6-phospho-2-dehydro-3-deoxy-D-galactonic acid; major species at pH 7.3. ChEBI CHEBI:58298

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

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:

Click to predict properties on the Chemicalize site


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