ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,16beta)-Kaurane-16,17-diol | C20H34O2

(5β,8α,9β,10α,16β)-Kaurane-16,17-diol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID23342290

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5β,8α,9β,10α,16β)-Kauran-16,17-diol [German] [ACD/IUPAC Name]
(5β,8α,9β,10α,16β)-Kaurane-16,17-diol [ACD/IUPAC Name]
(5β,8α,9β,10α,16β)-Kaurane-16,17-diol [French] [ACD/IUPAC Name]
(-)-kauran-16-α,17-diol
(1S,4R,9R,10R,13S,14R)-14-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
16836-31-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519108/
kauran-16,17-diol [ACD/IUPAC 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: 422.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 186.8±15.8 °C
Index of Refraction: 1.551
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4932.69
ACD/KOC (pH 5.5): 15314.47
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4932.69
ACD/KOC (pH 7.4): 15314.47
Polar Surface Area: 40 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 280.7±5.0 cm3

Click to predict properties on the Chemicalize site


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