Found 86 results

Search term: C42H73O11P (Found by molecular formula)
ChemSpider 2D Image | (19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (5Z,8Z,11Z,14Z,16E,18R)-18-hydroxy-5,8,11,14,16-icosapentaenoate | C42H73O11P

(19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (5Z,8Z,11Z,14Z,16E,18R)-18-hydroxy-5,8,11,14,16-icosapentaenoate

  • Molecular FormulaC42H73O11P
  • Average mass784.996 Da
  • Monoisotopic mass784.489075 Da
  • ChemSpider ID117223622

  • 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

(19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (5Z,8Z,11Z,14Z,16E,18R)-18-hydroxy-5,8,11,14,16-icosapentaenoate [ACD/IUPAC Name]
(19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl-(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxy-5,8,11,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18R)-18-Hydroxy-5,8,11,14,16-icosapentaénoate de (19R,25S)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
5,8,11,14,16-Eicosapentaenoic acid, 18-hydroxy-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,16E,18R)- [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): 2294.12
ACD/KOC (pH 5.5): 940.47
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 1940.37
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

Click to predict properties on the Chemicalize site


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