ChemSpider 2D Image | 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoethanolamine | C45H80NO7P

1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC45H80NO7P
  • Average mass778.093 Da
  • Monoisotopic mass777.567261 Da
  • ChemSpider ID24769276

  • 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

(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-17-én-21-yle [French] [ACD/IUPAC Name]
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoethanolamine
4,7,10,13,16-Docosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(17Z,21R)-27-amino-24-hydroxy-24-oxo-19,23,25-trioxa-24λ(5)-phosphaheptacos-17-en-21-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(1Z)-octadec-1-en-1-yloxy]propoxy]phosphinic acid
1-(1-Enyl-stearoyl)-2-docosapentaenoyl-sn-glycero-3-phosphoethanolamine
1-(1-Enyl-stearoyl)-2-osbondoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(1Z)-octadec-1-en-1-yloxy]propoxyphosphinic acid
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>)-octadecenyl and (4<stereo>Z</st ereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>)-docosapentaenoyl respectively. ChEBI CHEBI:90485
      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)-octadecenyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respecti vely. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90485, CHEBI:90485

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

Density: 1.0±0.1 g/cm3
Boiling Point: 784.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 428.1±35.7 °C
Index of Refraction: 1.500
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.64
ACD/LogD (pH 5.5): 10.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 785608.13
ACD/LogD (pH 7.4): 10.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 634091.13
Polar Surface Area: 127 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 781.3±3.0 cm3

Click to predict properties on the Chemicalize site


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