ChemSpider 2D Image | 1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol | C27H53O12P

1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol

  • Molecular FormulaC27H53O12P
  • Average mass600.676 Da
  • Monoisotopic mass600.327454 Da
  • ChemSpider ID34448669

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propylstearat [German] [ACD/IUPAC Name]
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
Octadecanoic acid, (2R)-2-hydroxy-3-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-2-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyle [French] [ACD/IUPAC Name]
(2R)-2-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl octadecanoate
1-octadecanoylglycerophosphoinositol
1-Octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)
1-stearoylglycerophosphoinositol
849412-49-3 [RN]
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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: 1.3±0.1 g/cm3
Boiling Point: 730.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 395.4±35.7 °C
Index of Refraction: 1.531
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 4
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 213 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 477.3±5.0 cm3

Click to predict properties on the Chemicalize site


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