ChemSpider 2D Image | [(1R,2S,3S,4S)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methyl phosphate | C7H11O9P

[(1R,2S,3S,4S)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methyl phosphate

  • Molecular FormulaC7H11O9P
  • Average mass270.132 Da
  • Monoisotopic mass270.015167 Da
  • ChemSpider ID34999435

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,2S,3S,4S)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methyl phosphate [ACD/IUPAC Name]
[(1R,2S,3S,4S)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methylphosphat [German] [ACD/IUPAC Name]
Cyclohexanone, 2,3,4,5-tetrahydroxy-5-[(phosphonooxy)methyl]-, ion(2-), (2S,3S,4S,5R)- [ACD/Index Name]
Phosphate de [(1R,2S,3S,4S)-1,2,3,4-tétrahydroxy-5-oxocyclohexyl]méthyle [French] [ACD/IUPAC Name]
2-epi-5-epi-valiolone 7-phospahte
2-epi-5-epi-valiolone 7-phosphate
2-epi-5-epi-valiolone 7-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-epi-5-epi-valiolone 7-phosphate; major species at pH 7.3. ChEBI CHEBI:84362

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

Density:
Boiling Point: 550.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 286.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
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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