ChemSpider 2D Image | (3beta,8xi,9xi,14xi)-3-Hydroxypregn-4-en-20-one | C21H32O2

(3β,8ξ,9ξ,14ξ)-3-Hydroxypregn-4-en-20-one

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID23135976

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ)-3-Hydroxypregn-4-en-20-on [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-3-Hydroxypregn-4-en-20-one [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-3-Hydroxyprégn-4-én-20-one [French] [ACD/IUPAC Name]
Pregn-4-en-20-one, 3-hydroxy-, (3β,8ξ,9ξ,14ξ)- [ACD/Index Name]
1-(3-Hydroxy-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone
1-[(2R,5S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl]ethan-1-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 189.6±21.3 °C
Index of Refraction: 1.550
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1103.11
ACD/KOC (pH 5.5): 5242.10
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1103.11
ACD/KOC (pH 7.4): 5242.10
Polar Surface Area: 37 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 290.0±5.0 cm3

Click to predict properties on the Chemicalize site


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