ChemSpider 2D Image | (17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosa-17,20,23,26-tetraen-9-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C45H72NO8P

(17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tetraen-9-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC45H72NO8P
  • Average mass786.029 Da
  • Monoisotopic mass785.499573 Da
  • ChemSpider ID74850959

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tetraen-9-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tetraen-9-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (17Z,20Z,23Z,26Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tétraén-9-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy)phosphinic acid

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: 776.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 423.2±35.7 °C
Index of Refraction: 1.515
Molar Refractivity: 230.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.34
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 15906.14
ACD/KOC (pH 5.5): 6893.32
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 14849.71
ACD/KOC (pH 7.4): 6435.48
Polar Surface Area: 121 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 762.8±3.0 cm3

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