Found 86 results

Search term: C42H73O11P (Found by molecular formula)
ChemSpider 2D Image | (2R)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoate | C42H73O11P

(2R)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoate

  • Molecular FormulaC42H73O11P
  • Average mass784.996 Da
  • Monoisotopic mass784.489075 Da
  • ChemSpider ID117223205

  • 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)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl-(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaénoate de (2R)-2-[(17-méthyloctadecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
7,9,11,13,17-Eicosapentaenoic acid, 5,6,15-trihydroxy-, (2R)-2-[(17-methyl-1-oxooctadecyl)oxy]-3-(phosphonooxy)propyl ester, (5S,6S,7Z,9Z,11E,13E,15R,17Z)- [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: 859.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.0±6.0 kJ/mol
Flash Point: 473.7±37.1 °C
Index of Refraction: 1.516
Molar Refractivity: 216.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 9.74
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 257.88
ACD/KOC (pH 5.5): 204.45
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 30.34
ACD/KOC (pH 7.4): 24.06
Polar Surface Area: 190 Å2
Polarizability: 85.8±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 716.8±3.0 cm3

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