ChemSpider 2D Image | (3beta,5alpha,8alpha,9beta,10alpha,12beta,13alpha,14beta,17Z)-Pregn-17-ene-3,12-diol | C21H34O2

(3β,5α,8α,9β,10α,12β,13α,14β,17Z)-Pregn-17-ene-3,12-diol

  • Molecular FormulaC21H34O2
  • Average mass318.493 Da
  • Monoisotopic mass318.255890 Da
  • ChemSpider ID30658605

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,8α,9β,10α,12β,13α,14β,17Z)-Pregn-17-en-3,12-diol [German] [ACD/IUPAC Name]
(3β,5α,8α,9β,10α,12β,13α,14β,17Z)-Pregn-17-ene-3,12-diol [ACD/IUPAC Name]
(3β,5α,8α,9β,10α,12β,13α,14β,17Z)-Prégn-17-ène-3,12-diol [French] [ACD/IUPAC Name]
Pregn-17-ene-3,12-diol, (3β,5α,8α,9β,10α,12β,13α,14β,17Z)- [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: 442.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 195.5±23.3 °C
Index of Refraction: 1.587
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.62
ACD/KOC (pH 5.5): 3497.00
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.62
ACD/KOC (pH 7.4): 3497.00
Polar Surface Area: 40 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

Click to predict properties on the Chemicalize site


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