ChemSpider 2D Image | (6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-6,9,12-trien-21-yl (13Z)-13-docosenoate | C45H82NO8P

(6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (13Z)-13-docosenoate

  • Molecular FormulaC45H82NO8P
  • Average mass796.108 Da
  • Monoisotopic mass795.577820 Da
  • ChemSpider ID24768602

  • 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)-13-Docosénoate de (6Z,9Z,12Z,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trién-21-yle [French] [ACD/IUPAC Name]
(6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
(6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1-g-Linolenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
1-γ-Linolenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/22:1)
GPEtn(18:3n6/22:1n9)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 793.6±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: 433.7±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 229.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.79
ACD/LogD (pH 5.5): 9.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 383148.69
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 308676.38
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 791.2±3.0 cm3

Click to predict properties on the Chemicalize site


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