ChemSpider 2D Image | (2R)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl (5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxy-6,8,11,13-icosatetraenoate | C42H71O10P

(2R)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl (5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxy-6,8,11,13-icosatetraenoate

  • Molecular FormulaC42H71O10P
  • Average mass766.981 Da
  • Monoisotopic mass766.478455 Da
  • ChemSpider ID117220373

  • 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 (5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxy-6,8,11,13-icosatetraenoate [ACD/IUPAC Name]
(2R)-2-[(10Z,13Z)-10,13-Nonadecadienoyloxy]-3-(phosphonooxy)propyl-(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxy-6,8,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5R,6E,8Z,11Z,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatétraénoate de (2R)-2-[(10Z,13Z)-10,13-nonadecadienoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
6,8,11,13-Eicosatetraenoic acid, 5,15-dihydroxy-, (2R)-2-[[(10Z,13Z)-1-oxo-10,13-nonadecadien-1-yl]oxy]-3-(phosphonooxy)propyl ester, (5R,6E,8Z,11Z,13E,15S)- [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: 831.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.4±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: 10.94
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 3298.84
ACD/KOC (pH 5.5): 1267.43
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 388.16
ACD/KOC (pH 7.4): 149.13
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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