ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (15Z)-15-tetracosenoate | C47H86NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (15Z)-15-tetracosenoate

  • Molecular FormulaC47H86NO8P
  • Average mass824.161 Da
  • Monoisotopic mass823.609131 Da
  • ChemSpider ID24769195

  • 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

(15Z)-15-Tétracosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid
1-(15Z-tetracosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
1-24:1-2-18:3-phosphatidylethanolamine
1-Nervonoyl-2-a-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Nervonoyl-2-α-linolenoyl-sn-glycero-3-phosphoethanolamine
24:1-18:3-PE
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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: 1.0±0.1 g/cm3
Boiling Point: 810.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 444.1±37.1 °C
Index of Refraction: 1.492
Molar Refractivity: 239.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.78
ACD/LogD (pH 5.5): 10.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 730972.69
ACD/LogD (pH 7.4): 10.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 588896.63
Polar Surface Area: 144 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 824.2±3.0 cm3

Click to predict properties on the Chemicalize site


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