ChemSpider 2D Image | (2R,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxoheptyl phosphate | C7H13O9P

(2R,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxoheptyl phosphate

  • Molecular FormulaC7H13O9P
  • Average mass272.148 Da
  • Monoisotopic mass272.030823 Da
  • ChemSpider ID26330904

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxoheptyl phosphate [ACD/IUPAC Name]
(2R,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxoheptylphosphat [German] [ACD/IUPAC Name]
D-altro-2-Heptulose, 1-deoxy-, 7-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
Phosphate de (2R,3R,4R,5S)-2,3,4,5-tétrahydroxy-6-oxoheptyle [French] [ACD/IUPAC Name]
1-deoxy-7-O-phosphonato-D-altro-hept-2-ulose
1-deoxy-D-altro-heptulose 7-phosphate
1-deoxy-D-altro-heptulose 7-phosphate dianion
1-deoxy-D-altro-heptulose 7-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      Dianion of 1-deoxy-D-altro-heptulose 7-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57764

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

Density:
Boiling Point: 669.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±6.0 kJ/mol
Flash Point: 358.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -6.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.71
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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