ChemSpider 2D Image | 1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine | C41H78NO7P

1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC41H78NO7P
  • Average mass728.034 Da
  • Monoisotopic mass727.551575 Da
  • ChemSpider ID24769292

  • 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

(7Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(7Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate 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]
1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine
9-Octadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z,11Z)-1,11-octadecadien-1-yloxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propoxy]phosphinic acid
(7Z,17Z,21R)-27-amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ(5)-phosphaheptacosa-7,17-dien-21-yl (9Z)-octadec-9-enoate
1-(1-Enyl-vaccenoyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propoxyphosphinic acid
GPEtn(18:1/18:1)
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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 alk-1-enyl and acyl groups are specified as (1<stereo>Z</stereo>,11<stereo>Z</stereo>)-octadecadienyl and oleoyl resp ectively. ChEBI CHEBI:85020
      A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alk-1-enyl and acyl groups are specified as (1Z,11Z)-octadecadienyl and oleoyl resp; ectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85020
      A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alk-1-enyl and acyl groups are specified as (1Z,11Z)-octadecadienyl and oleoyl respectively. ChEBI CHEBI:85020

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

Density: 1.0±0.1 g/cm3
Boiling Point: 750.0±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: 407.4±35.7 °C
Index of Refraction: 1.487
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 15.37
ACD/LogD (pH 5.5): 9.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 319676.47
ACD/LogD (pH 7.4): 9.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 258050.97
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 734.4±3.0 cm3

Click to predict properties on the Chemicalize site


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