ChemSpider 2D Image | 1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine | C41H74NO7P

1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC41H74NO7P
  • Average mass724.003 Da
  • Monoisotopic mass723.520264 Da
  • ChemSpider ID24769238

  • 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,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(15Z,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (15Z,19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-15-én-19-yle [French] [ACD/IUPAC Name]
1-(1Z-hexadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine
1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-hexadecen-1-yloxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(15Z,19R)-25-amino-22-hydroxy-22-oxido-17,21,23-trioxa-22l5-phosphapentacos-15-en-19-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
(15Z,19R)-25-amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ(5)-phosphapentacos-15-en-19-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
(2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A 1-(<stereo>Z</stereo>)-alk-1-enyl-2-acyl-<ital>sn</ital>-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1<stereo>Z</stereo>-hexadecenyl) and arach idonoyl respectively. ChEBI CHEBI:133647, CHEBI:84527
      A 1-(alk-1-enyl)-2-acyl-<ital>sn</ital>-glycero-3-phosphoethanolamine in which the alkenyl and acyl groups are specified as (1<stereo>Z</stereo>)-hexadecenyl and arachidonoyl respectively. ChEBI CHEBI:133647, CHEBI:84527
      A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkenyl and acyl groups are specified as (1Z)-hexadecenyl and arachidonoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84527, CHEBI:84527
      A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1Z-hexadecenyl) and arach; idonoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133647
      A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1Z-hexadecenyl) and arachidonoyl respectively. ChEBI CHEBI:133647

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

Density: 1.0±0.1 g/cm3
Boiling Point: 749.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 406.8±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 211.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.13
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 185921.67
ACD/LogD (pH 7.4): 9.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 150074.11
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 721.7±3.0 cm3

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