ChemSpider 2D Image | (2R)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl (5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate | C42H71O10P

(2R)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl (5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate

  • Molecular FormulaC42H71O10P
  • Average mass766.981 Da
  • Monoisotopic mass766.478455 Da
  • ChemSpider ID117220375

  • 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)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl (5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl-(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6S,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatétraénoate de (2R)-2-[(10Z,13Z)-10,13-nonadecadienoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 5,6-dihydroxy-, (2R)-2-[[(10Z,13Z)-1-oxo-10,13-nonadecadien-1-yl]oxy]-3-(phosphonooxy)propyl ester, (5S,6S,8Z,11Z,14Z,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: 817.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.3±6.0 kJ/mol
Flash Point: 448.2±37.1 °C
Index of Refraction: 1.516
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 724.48
ACD/KOC (pH 5.5): 428.25
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 85.25
ACD/KOC (pH 7.4): 50.39
Polar Surface Area: 170 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 712.1±3.0 cm3

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