ChemSpider 2D Image | (1R,4S,6S,8S,9E,13S,14R)-8,13-Dihydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.0~4,6~]octadec-9-en-16-one | C20H30O5

(1R,4S,6S,8S,9E,13S,14R)-8,13-Dihydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID40256717

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,4S,6S,8S,9E,13S,14R)-8,13-Dihydroxy-4,9,13-trimethyl-17-methylen-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-on [German] [ACD/IUPAC Name]
(1R,4S,6S,8S,9E,13S,14R)-8,13-Dihydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one [ACD/IUPAC Name]
(1R,4S,6S,8S,9E,13S,14R)-8,13-Dihydroxy-4,9,13-triméthyl-17-méthylène-5,15-dioxatricyclo[12.3.1.04,6]octadéc-9-én-16-one [French] [ACD/IUPAC Name]
5,15-Dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one, 8,13-dihydroxy-4,9,13-trimethyl-17-methylene-, (1R,4S,6S,8S,9E,13S,14R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 189.5±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.95
ACD/KOC (pH 5.5): 377.49
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.95
ACD/KOC (pH 7.4): 377.49
Polar Surface Area: 79 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 296.6±5.0 cm3

Click to predict properties on the Chemicalize site


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