Found 86 results

Search term: C42H73O11P (Found by molecular formula)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate | C42H73O11P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate

  • Molecular FormulaC42H73O11P
  • Average mass784.996 Da
  • Monoisotopic mass784.489075 Da
  • ChemSpider ID117223623

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl-(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,16-Eicosapentaenoic acid, 18-hydroxy-, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,16E,18S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 826.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 453.3±37.1 °C
Index of Refraction: 1.510
Molar Refractivity: 216.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 10.51
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 2294.23
ACD/KOC (pH 5.5): 940.52
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 1940.38
ACD/KOC (pH 7.4): 795.46
Polar Surface Area: 179 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 724.9±3.0 cm3

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