ChemSpider 2D Image | 1-Palmitoleoyl-2-meadoyl-sn-glycero-3-phosphoethanolamine | C41H74NO8P

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

  • Molecular FormulaC41H74NO8P
  • Average mass740.002 Da
  • Monoisotopic mass739.515198 Da
  • ChemSpider ID24768454

  • 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

(5Z,8Z,11Z)-5,8,11-Icosatriénoate 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 (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(7Z,19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacos-7-en-19-yl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
1-Palmitoleoyl-2-meadoyl-sn-glycero-3-phosphoethanolamine
5,8,11-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid
2-aminoethoxy(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphinic acid
GPEtn(16:1/20:3)
GPEtn(16:1n7/20:3n9)
GPEtn(16:1w7/20:3w9)
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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: 758.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 211.2±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): 8.47
ACD/BCF (pH 5.5): 403372.44
ACD/KOC (pH 5.5): 69699.05
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 324956.03
ACD/KOC (pH 7.4): 56149.42
Polar Surface Area: 144 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 725.2±3.0 cm3

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