ChemSpider 2D Image | (6Z,9Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphanonacosa-6,9-dien-23-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C45H80NO8P

(6Z,9Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9-dien-23-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC45H80NO8P
  • Average mass794.092 Da
  • Monoisotopic mass793.562134 Da
  • ChemSpider ID24768749

  • 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

(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (6Z,9Z,23R)-29-amino-26-hydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9-dién-23-yle [French] [ACD/IUPAC Name]
(6Z,9Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9-dien-23-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(6Z,9Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9-dien-23-yl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid
1-Eicosadienoyl-2-meadoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphinic acid
GPEtn(20:2/20:3)
GPEtn(20:2n6/20:3n9)
GPEtn(20:2w6/20:3w9)
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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: 793.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 433.5±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 15.32
ACD/LogD (pH 5.5): 9.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 266637.94
ACD/LogD (pH 7.4): 9.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 214802.98
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 784.8±3.0 cm3

Click to predict properties on the Chemicalize site


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