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 (8Z,11Z,14Z)-8,11,14-icosatrienoate | C43H74NO8P

(6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC43H74NO8P
  • Average mass764.023 Da
  • Monoisotopic mass763.515198 Da
  • ChemSpider ID24768597

  • 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

(6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate [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-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate 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]
8,11,14-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine
1-g-Linolenoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-γ-Linolenoyl-2-homo-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/20:3)
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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: 775.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 422.7±35.7 °C
Index of Refraction: 1.504
Molar Refractivity: 220.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.53
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 136515.94
ACD/KOC (pH 5.5): 32094.61
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 109981.07
ACD/KOC (pH 7.4): 25856.32
Polar Surface Area: 144 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 745.4±3.0 cm3

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