ChemSpider 2D Image | (2R)-1-[(14-Methylhexadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxy-4,7,11,13,15,19-docosahexaenoate | C42H71O10P

(2R)-1-[(14-Methylhexadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxy-4,7,11,13,15,19-docosahexaenoate

  • Molecular FormulaC42H71O10P
  • Average mass766.981 Da
  • Monoisotopic mass766.478455 Da
  • ChemSpider ID117222397

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-1-[(14-Methylhexadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxy-4,7,11,13,15,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-1-[(14-Methylhexadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl-(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxy-4,7,11,13,15,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-Dihydroxy-4,7,11,13,15,19-docosahexaénoate de (2R)-1-[(14-méthylhexadecanoyl)oxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
4,7,11,13,15,19-Docosahexaenoic acid, 10,17-dihydroxy-, (1R)-2-[(14-methyl-1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (4Z,7Z,10R,11E,13Z,15E,17S,19Z)- [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: 827.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 454.5±37.1 °C
Index of Refraction: 1.516
Molar Refractivity: 215.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 10.68
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 694.61
ACD/KOC (pH 5.5): 415.43
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 81.75
ACD/KOC (pH 7.4): 48.89
Polar Surface Area: 170 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 712.5±3.0 cm3

Click to predict properties on the Chemicalize site


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