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 (15Z)-15-tetracosenoate | C47H86NO8P

(6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (15Z)-15-tetracosenoate

  • Molecular FormulaC47H86NO8P
  • Average mass824.161 Da
  • Monoisotopic mass823.609131 Da
  • ChemSpider ID24768609

  • 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

(15Z)-15-Tétracosénoate 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 (15Z)-15-tetracosenoate [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-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid
1-g-Linolenoyl-2-nervonoyl-sn-glycero-3-phosphoethanolamine
1-γ-Linolenoyl-2-nervonoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(18:3/24:1)
GPEtn(18:3n6/24:1n9)
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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: 810.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 444.1±37.1 °C
Index of Refraction: 1.492
Molar Refractivity: 239.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.85
ACD/LogD (pH 5.5): 10.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1392643.13
ACD/LogD (pH 7.4): 10.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1121956.13
Polar Surface Area: 144 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 824.2±3.0 cm3

Click to predict properties on the Chemicalize site


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