ChemSpider 2D Image | (3beta,5beta,20S)-Pregnane-3,20-diol | C21H36O2

(3β,5β,20S)-Pregnane-3,20-diol

  • Molecular FormulaC21H36O2
  • Average mass320.509 Da
  • Monoisotopic mass320.271515 Da
  • ChemSpider ID48063906

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,20S)-Pregnan-3,20-diol [German] [ACD/IUPAC Name]
(3β,5β,20S)-Pregnane-3,20-diol [ACD/IUPAC Name]
(3β,5β,20S)-Prégnane-3,20-diol [French] [ACD/IUPAC Name]
Pregnane-3,20-diol, (3β,5β,20S)- [ACD/Index Name]
(3S,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
(3β,5β)-Pregnane-3,20-diol [ACD/IUPAC Name]
5β-Pregnane-3β,20(S)-diol
5β-Pregnane-3β,20(S)-diol
80-90-0 [RN]
Pregnane-3,20-diol, (3b,5b,20S)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 191.0±15.8 °C
Index of Refraction: 1.531
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 889.66
ACD/KOC (pH 5.5): 4494.21
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 889.66
ACD/KOC (pH 7.4): 4494.21
Polar Surface Area: 40 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site


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