ChemSpider 2D Image | (3beta)-3,17-Dihydroxy-6-methylpregn-5-en-20-one | C22H34O3

(3β)-3,17-Dihydroxy-6-methylpregn-5-en-20-one

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID29367869

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-3,17-Dihydroxy-6-methylpregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β)-3,17-Dihydroxy-6-methylpregn-5-en-20-one [ACD/IUPAC Name]
(3β)-3,17-Dihydroxy-6-méthylprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,17-dihydroxy-6-methyl-, (3β)- [ACD/Index Name]
1-((3S,8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-6,10,13-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
5566-13-2 [RN]
6-METHYL-17α-HYDROXYPREGNENOLONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 482.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 259.4±25.2 °C
Index of Refraction: 1.562
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 722.10
ACD/KOC (pH 5.5): 3870.67
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 722.10
ACD/KOC (pH 7.4): 3870.66
Polar Surface Area: 58 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 303.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement