ChemSpider 2D Image | 1-(sn-glycero-3-phospho)-1D-myo-inositol | C9H19O11P

1-(sn-glycero-3-phospho)-1D-myo-inositol

  • Molecular FormulaC9H19O11P
  • Average mass334.214 Da
  • Monoisotopic mass334.066498 Da
  • ChemSpider ID28184592

  • 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 hydrogen phosphate [ACD/IUPAC Name]
(2R)-2,3-Dihydroxypropyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
1-(sn-glycero-3-phospho)-1D-myo-inositol
Hydrogénophosphate 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 [ACD/Index Name]
(2R)-2,3-dihydroxypropoxy[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid
[(2R)-2,3-dihydroxypropoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
129830-95-1 [RN]
1D-myo-inositol 1-[(2R)-2,3-dihydroxypropyl hydrogen phosphate]
3-Phosphoglyceroinositol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
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: 1.624
Molar Refractivity: 64.0±0.4 cm3
#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: 207 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 115.6±5.0 dyne/cm
Molar Volume: 181.4±5.0 cm3

Click to predict properties on the Chemicalize site


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