ChemSpider 2D Image | 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine | C42H76NO8P

1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC42H76NO8P
  • Average mass754.029 Da
  • Monoisotopic mass753.530884 Da
  • ChemSpider ID4446612

  • 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

(20R)-26-Amino-23-hydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphahexacosan-20-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(20R)-26-Amino-23-hydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphahexacosan-20-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (20R)-26-amino-23-hydroxy-17-oxo-23-oxydo-18,22,24-trioxa-23λ5-phosphahexacosan-20-yle [French] [ACD/IUPAC Name]
1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxoheptadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(20R)-26-amino-23-hydroxy-17,23-dioxo-18,22,24-trioxa-23λ(5)-phosphahexacosan-20-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
17:0-20:4 PE
1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphoethanolamine
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphoethanolamine zwitterion
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010003 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 767.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 417.8±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 215.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.09
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 213285.75
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 171822.58
Polar Surface Area: 144 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 741.7±3.0 cm3

Click to predict properties on the Chemicalize site


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