ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl heptadecanoate | C38H74NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl heptadecanoate

  • Molecular FormulaC38H74NO8P
  • Average mass703.970 Da
  • Monoisotopic mass703.515198 Da
  • ChemSpider ID59695626

  • 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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl heptadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester [ACD/Index Name]
1-heptadecanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine
1-heptadecanoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine
1-margaroyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
GPEtn(17:0/16:1)
GPEtn(33:1)
PE(16:1_17:0)
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 732.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 396.7±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.72
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 223041.56
ACD/LogD (pH 7.4): 9.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 179689.94
Polar Surface Area: 144 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 694.8±3.0 cm3

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