ChemSpider 2D Image | (2S)-3-Hydroxy-2-(icosanoyloxy)propyl (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoate | C43H74O8

(2S)-3-Hydroxy-2-(icosanoyloxy)propyl (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoate

  • Molecular FormulaC43H74O8
  • Average mass719.043 Da
  • Monoisotopic mass718.538391 Da
  • ChemSpider ID117215575

  • 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

(2S)-3-Hydroxy-2-(icosanoyloxy)propyl (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(icosanoyloxy)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 (2S)-3-hydroxy-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
7,9,11,13,17-Eicosapentaenoic acid, 5,6,15-trihydroxy-, (2S)-3-hydroxy-2-[(1-oxoeicosyl)oxy]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: 1.0±0.1 g/cm3
Boiling Point: 800.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 224.6±27.8 °C
Index of Refraction: 1.511
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 10.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8951822.00
ACD/LogD (pH 7.4): 10.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8951803.00
Polar Surface Area: 134 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 704.9±3.0 cm3

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