ChemSpider 2D Image | 1-Eicosapentaenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine | C47H82NO8P

1-Eicosapentaenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC47H82NO8P
  • Average mass820.130 Da
  • Monoisotopic mass819.577820 Da
  • ChemSpider ID24768920
  • 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

(13Z)-13-Docosénoate de (3Z,6Z,9Z,12Z,15Z,23R)-29-amino-26-hydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosa-3,6,9,12,15-pentaén-23-yle [French] [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-25-phosphanonacosa-3,6,9,12,15-pentaen-23-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-25-phosphanonacosa-3,6,9,12,15-pentaen-23-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
1-Eicosapentaenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
(2-aminoethoxy)[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propoxy]phosphinic acid
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propoxyphosphinic acid
GPEtn(20:5/22:1)
GPEtn(20:5n3/22:1n9)
GPEtn(20:5w3/22:1w9)
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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

Density: 1.0±0.1 g/cm3
Boiling Point: 809.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 443.6±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 239.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.54
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 214076.88
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 172464.83
Polar Surface Area: 144 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 811.4±3.0 cm3

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