ChemSpider 2D Image | 1-Erucoyl-2-meadoyl-sn-glycero-3-phosphoethanolamine | C47H86NO8P

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

  • Molecular FormulaC47H86NO8P
  • Average mass824.161 Da
  • Monoisotopic mass823.609131 Da
  • ChemSpider ID24768973

  • 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 (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
1-Erucoyl-2-meadoyl-sn-glycero-3-phosphoethanolamine
(2-aminoethoxy)[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid
2-aminoethoxy(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphinic acid
GPEtn(22:1/20:3)
GPEtn(22:1n9/20:3n9)
GPEtn(22:1w9/20:3w9)
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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: 810.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 444.1±37.1 °C
Index of Refraction: 1.492
Molar Refractivity: 239.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.90
ACD/LogD (pH 5.5): 11.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2870504.50
ACD/LogD (pH 7.4): 11.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2312472.75
Polar Surface Area: 144 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 824.2±3.0 cm3

Click to predict properties on the Chemicalize site


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