ChemSpider 2D Image | 1-(1-Enyl-vaccenoyl)-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine | C45H76NO7P

1-(1-Enyl-vaccenoyl)-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC45H76NO7P
  • Average mass774.061 Da
  • Monoisotopic mass773.535950 Da
  • ChemSpider ID24769311

  • 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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (7Z,17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dién-21-yle [French] [ACD/IUPAC Name]
(7Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(7Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
1-(1-Enyl-vaccenoyl)-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z,11Z)-1,11-octadecadien-1-yloxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propoxy]phosphinic acid
2-aminoethoxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propoxyphosphinic acid
GPEtn(18:1/22:6)
GPEtn(18:1n7/22:6n3)
GPEtn(18:1w7/22:6w3)
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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: 783.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 427.6±35.7 °C
Index of Refraction: 1.510
Molar Refractivity: 229.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.44
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 292979.28
ACD/KOC (pH 5.5): 55440.89
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 236473.58
ACD/KOC (pH 7.4): 44748.23
Polar Surface Area: 127 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 768.5±3.0 cm3

Click to predict properties on the Chemicalize site


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