ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (11Z)-11-octadecenoate | C39H76NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (11Z)-11-octadecenoate

  • Molecular FormulaC39H76NO8P
  • Average mass717.996 Da
  • Monoisotopic mass717.530884 Da
  • ChemSpider ID24768495

  • 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

(11Z)-11-Octadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-(HEXADECANOYLOXY)-3-[(11Z)-OCTADEC-11-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-Vaccenoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-(HEXADECANOYLOXY)-3-[(11Z)-OCTADEC-11-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid
GPEtn(18:1/16:0)
GPEtn(18:1n7/16:0)
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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: 741.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 402.3±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.25
ACD/LogD (pH 5.5): 9.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 365402.75
ACD/LogD (pH 7.4): 9.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 294381.31
Polar Surface Area: 144 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 711.3±3.0 cm3

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