ChemSpider 2D Image | (5S)-3-[(15R,16R,19Z)-15,16-Dihydroxy-8-oxo-19-dotriaconten-1-yl]-5-methyl-2(5H)-furanone | C37H66O5

(5S)-3-[(15R,16R,19Z)-15,16-Dihydroxy-8-oxo-19-dotriaconten-1-yl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H66O5
  • Average mass590.917 Da
  • Monoisotopic mass590.491028 Da
  • ChemSpider ID8683038

  • 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

(5S)-3-[(15R,16R,19Z)-15,16-Dihydroxy-8-oxo-19-dotriaconten-1-yl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(15R,16R,19Z)-15,16-Dihydroxy-8-oxo-19-dotriaconten-1-yl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(15R,16R,19Z)-15,16-Dihydroxy-8-oxo-19-dotriacontén-1-yl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(15R,16R,19Z)-15,16-dihydroxy-8-oxo-19-dotriaconten-1-yl]-5-methyl-, (5S)- [ACD/Index Name]
(5S)-3-[(15R,16R,19Z)-15,16-dihydroxy-8-oxodotriacont-19-en-1-yl]-5-methylfuran-2(5H)-one
annojahnin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 720.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 210.8±26.4 °C
Index of Refraction: 1.491
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 10.01
ACD/LogD (pH 5.5): 9.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5059991.00
ACD/LogD (pH 7.4): 9.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5059991.00
Polar Surface Area: 84 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 606.8±3.0 cm3

Click to predict properties on the Chemicalize site


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