ChemSpider 2D Image | DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE | C41H82NO8P

DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE

  • Molecular FormulaC41H82NO8P
  • Average mass748.065 Da
  • Monoisotopic mass747.577820 Da
  • ChemSpider ID21230652

More details:






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

(2S)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl stearate [ACD/IUPAC Name]
(2S)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propylstearat [German] [ACD/IUPAC Name]
(S)-1,2-distearoylphosphatidylethanolamine
DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
Octadecanoic acid, (1S)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (2S)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
(2-aminoethoxy)[(2S)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid
(2S)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctadecanoate
2-aminoethoxy((2S)-2,3-bis(octadecanoyloxy)propoxy)phosphinic acid
2-aminoethoxy(2S)-2,3-bis(octadecanoyloxy)propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:47767 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 760.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.5±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 210.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.83
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2552900.75
ACD/LogD (pH 7.4): 11.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2056706.63
Polar Surface Area: 144 Å2
Polarizability: 83.6±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 750.7±3.0 cm3

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