ChemSpider 2D Image | 1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phosphoethanolamine | C39H74NO8P

1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC39H74NO8P
  • Average mass715.981 Da
  • Monoisotopic mass715.515198 Da
  • ChemSpider ID24768445

  • 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 (7Z,19R)-25-amino-22-hydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-7-én-19-yle [French] [ACD/IUPAC Name]
(7Z,19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacos-7-en-19-yl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(7Z,19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacos-7-en-19-yl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phosphoethanolamine
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-[(11Z)-OCTADEC-11-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
2-AMINOETHOXY((2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-[(11Z)-OCTADEC-11-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid
GPEtn(16:1/18:1)
GPEtn(16:1n7/18:1n7)
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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: 741.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 402.0±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.73
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 213373.83
ACD/KOC (pH 5.5): 44183.96
ACD/LogD (pH 7.4): 8.01
ACD/BCF (pH 7.4): 171901.45
ACD/KOC (pH 7.4): 35596.15
Polar Surface Area: 144 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 704.9±3.0 cm3

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