ChemSpider 2D Image | (3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-3,6,9-trien-21-yl (13Z)-13-docosenoate | C45H82NO8P

(3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trien-21-yl (13Z)-13-docosenoate

  • Molecular FormulaC45H82NO8P
  • Average mass796.108 Da
  • Monoisotopic mass795.577820 Da
  • ChemSpider ID24768634

  • 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 (3Z,6Z,9Z,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trién-21-yle [French] [ACD/IUPAC Name]
(3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trien-21-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
(3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trien-21-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-a-Linolenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
1-α-Linolenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/22:1)
GPEtn(18:3n3/22:1n9)
More...

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: 15.72
ACD/LogD (pH 5.5): 9.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 236085.48
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 190198.77
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


Advertisement