ChemSpider 2D Image | (6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphanonacosa-6,9,12-trien-23-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C45H74NO8P

(6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9,12-trien-23-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC45H74NO8P
  • Average mass788.045 Da
  • Monoisotopic mass787.515198 Da
  • ChemSpider ID24768819

  • 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,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (6Z,9Z,12Z,23R)-29-amino-26-hydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9,12-trién-23-yle [French] [ACD/IUPAC Name]
(6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9,12-trien-23-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9,12-trien-23-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphoethanolamine
1-Homo-g-linolenoyl-2-eicosapentaenoyl-sn-glycero-3-phosphoethanolamine
1-Homo-γ-linolenoyl-2-eicosapentaenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxyphosphinic acid
GPEtn(20:3/20:5)
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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: 792.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 432.8±35.7 °C
Index of Refraction: 1.512
Molar Refractivity: 229.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.28
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 69821.45
ACD/KOC (pH 5.5): 19860.86
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 56248.03
ACD/KOC (pH 7.4): 15999.87
Polar Surface Area: 144 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 765.7±3.0 cm3

Click to predict properties on the Chemicalize site


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