ChemSpider 2D Image | 1-O-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine | C26H52NO8P

1-O-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC26H52NO8P
  • Average mass537.667 Da
  • Monoisotopic mass537.343079 Da
  • ChemSpider ID58170287

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-({8-[(2S,3R)-3-octyl-2-oxiranyl]octanoyl}oxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-({8-[(2S,3R)-3-octyl-2-oxiranyl]octanoyl}oxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-O-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine
1-O-[(9S,10R)-epoxy-stearoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[8-[(2S,3R)-3-octyloxiranyl]-1-oxooctyl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-({8-[(2S,3R)-3-octyl-2-oxiranyl]octanoyl}oxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-hydroxy-3-({8-[(2S,3R)-3-octyloxiran-2-yl]octanoyl}oxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
1-[(9S,10R)-epoxyoctadecanoyl]-sn-glycero-3-phosphocholine
1-[(9S,10R)-epoxy-octadecanoyl]-sn-glycero-3-phosphocholine
1-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine
More...

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 181.91
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 5.82
ACD/KOC (pH 7.4): 181.91
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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