ChemSpider 2D Image | (3alpha,6alpha)-3,6-Dihydroxypregnan-20-one | C21H34O3

(3α,6α)-3,6-Dihydroxypregnan-20-one

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID58819663

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,6α)-3,6-Dihydroxypregnan-20-on [German] [ACD/IUPAC Name]
(3α,6α)-3,6-Dihydroxypregnan-20-one [ACD/IUPAC Name]
(3α,6α)-3,6-Dihydroxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,6-dihydroxy-, (3α,6α)- [ACD/Index Name]
3α,6α-DIHYDROXYPREGNAN-20-ONE
570-78-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 252.0±21.1 °C
Index of Refraction: 1.542
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.36
ACD/KOC (pH 5.5): 982.64
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.36
ACD/KOC (pH 7.4): 982.64
Polar Surface Area: 58 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement