Found 1 result

Search term: 74850952 (Found by CSID)
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 icosanoate | C45H82NO8P

(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 icosanoate

  • Molecular FormulaC45H82NO8P
  • Average mass796.108 Da
  • Monoisotopic mass795.577820 Da
  • ChemSpider ID74850952

  • 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 icosanoate [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-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic 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 [ACD/Index Name]
Icosanoate 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]
[2-(dimethylamino)ethoxy][2-(icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid
2-(dimethylamino)ethoxy(2-(icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy)phosphinic acid
PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:0)

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: 778.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 229.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 15.29
ACD/LogD (pH 5.5): 10.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 505497.66
ACD/LogD (pH 7.4): 10.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 471928.06
Polar Surface Area: 121 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 794.8±3.0 cm3

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