ChemSpider 2D Image | 1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine | C45H84NO8P

1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC45H84NO8P
  • Average mass798.124 Da
  • Monoisotopic mass797.593445 Da
  • ChemSpider ID24768513
  • 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

(13Z,16Z)-13,16-Docosadiénoate de (7Z,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-7-én-21-yle [French] [ACD/IUPAC Name]
(7Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-7-en-21-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(7Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-7-en-21-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine
13,16-Docosadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid
(7Z,21R)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ(5)-phosphaheptacos-7-en-21-yl (13Z,16Z)-docosa-13,16-dienoate
1-Vaccenoyl-2-docosadienoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid
GPEtn(18:1(11Z)/22:2(13Z,16Z))
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  • Miscellaneous
    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as (11<stereo>Z</stereo>)-octadecenoyl and (13<stereo>Z</stereo>,16<stereo>Z</stereo>)-docosa dienoyl respectively. ChEBI CHEBI:74487
      A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as (11Z)-octadecenoyl and (13Z,16Z)-docosa; dienoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74487

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 794.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 434.0±35.7 °C
Index of Refraction: 1.488
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.40
ACD/LogD (pH 5.5): 10.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 560338.25
ACD/LogD (pH 7.4): 10.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 451428.22
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 797.6±3.0 cm3

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