Found 28 results

Search term: MF = 'C_{45}H_{79}O_{11}P'
ChemSpider 2D Image | (2R)-1-(Phosphonooxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}-2-propanyl 20-methylhenicosanoate | C45H79O11P

(2R)-1-(Phosphonooxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}-2-propanyl 20-methylhenicosanoate

  • Molecular FormulaC45H79O11P
  • Average mass827.076 Da
  • Monoisotopic mass826.536011 Da
  • ChemSpider ID117223463

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-1-(Phosphonooxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}-2-propanyl 20-methylhenicosanoate [ACD/IUPAC Name]
(2R)-1-(Phosphonooxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}-2-propanyl-20-methylhenicosanoat [German] [ACD/IUPAC Name]
20-Méthylhénicosanoate de (2R)-1-(phosphonooxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}-2-propanyle [French] [ACD/IUPAC Name]
Heneicosanoic acid, 20-methyl-, (1R)-2-(phosphonooxy)-1-[[[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-1-oxo-7,9,11,13,17-eicosapentaen-1-yl]oxy]methyl]ethyl ester [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: 882.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.6±6.0 kJ/mol
Flash Point: 487.3±37.1 °C
Index of Refraction: 1.513
Molar Refractivity: 230.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 1501.63
ACD/KOC (pH 5.5): 721.55
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 176.69
ACD/KOC (pH 7.4): 84.90
Polar Surface Area: 190 Å2
Polarizability: 91.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 766.3±3.0 cm3

Click to predict properties on the Chemicalize site


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