ChemSpider 2D Image | 1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine | C41H76NO7P

1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC41H76NO7P
  • Average mass726.018 Da
  • Monoisotopic mass725.535950 Da
  • ChemSpider ID24769237

  • 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 (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(15Z,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate 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-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine
8,11,14-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-hexadecen-1-yloxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(15Z,19R)-25-amino-22-hydroxy-22-oxo-17,21,23-trioxa-22λ(5)-phosphapentacos-15-en-19-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
(2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid
1-(1-Enyl-palmitoyl)-2-homo-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-(1-Enyl-palmitoyl)-2-homo-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A 1-(alk-1-enyl)-2-acyl-<ital>sn</ital>-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1<stereo>Z</stereo>)-hexadecenyl and (8<stereo>Z</st ereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>)-icosatrienoyl respectively. ChEBI CHEBI:90474
      A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-hexadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90474, CHEBI:90474

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

Density: 1.0±0.1 g/cm3
Boiling Point: 749.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 407.1±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 9.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 287724.44
ACD/LogD (pH 7.4): 9.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 232257.97
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 728.0±3.0 cm3

Click to predict properties on the Chemicalize site


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