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ChemSpider 2D Image | (2R)-2,3-Dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate | C9H18O11P

(2R)-2,3-Dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

  • Molecular FormulaC9H18O11P
  • Average mass333.207 Da
  • Monoisotopic mass333.059235 Da
  • ChemSpider ID28184597
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2,3-Dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Dihydroxypropyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2R)-2,3-dihydroxypropyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2R)-2,3-dihydroxypropyl (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl ester, ion(1-) [ACD/Index Name]
(2S)-2,3-dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
(2S)-2,3-dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate; 1D-myo-inositol 1-[(2R)-2,3-dihydroxypropyl phosphate]
1D-myo-inositol 1-[(2R)-2,3-dihydroxypropyl phosphate]
  • Miscellaneous
    • Chemical Class:

      An inositol phosphate oxoanion obtained by deprotonation of the free phosphate OH group of 1-(sn-glycero-3-phospho)-1D-myo-inositol; major species at pH ; 7.3. ChEBI CHEBI:58444

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

Boiling Point: 615.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -7.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Surface Tension:
Molar Volume:

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