ChemSpider 2D Image | 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate | C7H10O10P

7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate

  • Molecular FormulaC7H10O10P
  • Average mass285.124 Da
  • Monoisotopic mass285.002808 Da
  • ChemSpider ID26331153
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R,5S,6R)-4,5,6-Trihydroxy-2-oxo-7-(phosphonatooxy)heptanoat [German] [ACD/IUPAC Name]
(4R,5S,6R)-4,5,6-Trihydroxy-2-oxo-7-(phosphonatooxy)heptanoate [ACD/IUPAC Name]
(4R,5S,6R)-4,5,6-Trihydroxy-2-oxo-7-(phosphonatooxy)heptanoate [French] [ACD/IUPAC Name]
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate
D-arabino-2-Heptulosonic acid, 3-deoxy-, 7-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
3-deoxy-7-O-phosphono-D-arabino-hept-2-ulosonate
3-deoxy-D-arabino-2-heptulosonate 7-phosphate
3-deoxy-D-erythro-hept-2-ulosonate 7-phosphate
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate anion
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate(1-)

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

CHEBI:58394 [DBID]
  • Miscellaneous
    • Chemical Class:

      An organophosphate oxoanion arising from deprotonation of the carboxy and phosphate OH groups of 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid; major species at; pH 7.3. ChEBI CHEBI:58394

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

Density:
Boiling Point: 674.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 361.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.67
ACD/LogD (pH 5.5): -8.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability:
Surface Tension:
Molar Volume:

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