ChemSpider 2D Image | 1-Eicosapentaenoyl-2-nervonoyl-sn-glycero-3-phosphoethanolamine | C49H86NO8P

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

  • Molecular FormulaC49H86NO8P
  • Average mass848.183 Da
  • Monoisotopic mass847.609131 Da
  • ChemSpider ID24768926

  • 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

(15Z)-15-Tétracosénoate 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-26λ5-phosphanonacosa-3,6,9,12,15-pentaen-23-yl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-3,6,9,12,15-pentaen-23-yl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic 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, (15Z)- [ACD/Index Name]
1-Eicosapentaenoyl-2-nervonoyl-sn-glycero-3-phosphoethanolamine
(2-aminoethoxy)[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid
2-aminoethoxy(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(20:5/24:1)
GPEtn(20:5n3/24:1n9)
GPEtn(20:5w3/24:1w9)
More...

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: 826.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 453.8±37.1 °C
Index of Refraction: 1.500
Molar Refractivity: 248.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.61
ACD/LogD (pH 5.5): 10.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 662197.75
ACD/LogD (pH 7.4): 10.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 533480.44
Polar Surface Area: 144 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 844.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement