ChemSpider 2D Image | (2S)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl (9Z)-9-octadecenoate | C41H78NO8P

(2S)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl (9Z)-9-octadecenoate

  • Molecular FormulaC41H78NO8P
  • Average mass744.034 Da
  • Monoisotopic mass743.546509 Da
  • ChemSpider ID66424090

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2S)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2S)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1S)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2S)-1-[(2-azaniumylethyl phosphonato)oxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate
1,2-dioleoyl-sn-glycero-3-phos-phoethanolamine
39382-08-6 [RN]
phosphatidylethanolamine [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 759.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 413.0±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.79
ACD/LogD (pH 5.5): 10.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 546143.25
ACD/LogD (pH 7.4): 10.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 439991.75
Polar Surface Area: 144 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 737.9±3.0 cm3

Click to predict properties on the Chemicalize site


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