ChemSpider 2D Image | 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine | C39H74NO8P

1-oleoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC39H74NO8P
  • Average mass715.981 Da
  • Monoisotopic mass715.515198 Da
  • ChemSpider ID24768527

  • 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 (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
1-oleoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine
9-Octadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(hexadec-9-enoyloxy)-3-(octadec-9-enoyloxy)propoxy]phosphinic acid
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphoethanolamine
1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphoethanolamine zwitterion
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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): 8.68
ACD/BCF (pH 5.5): 585765.81
ACD/KOC (pH 5.5): 91032.72
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 471913.03
ACD/KOC (pH 7.4): 73339.08
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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