ChemSpider 2D Image | 5-Beta-Hydroxy-Drospirenone-17-Propanol | C24H36O4

5-β-Hydroxy-Drospirenone-17-Propanol

  • Molecular FormulaC24H36O4
  • Average mass388.540 Da
  • Monoisotopic mass388.261353 Da
  • ChemSpider ID31046554

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1aR,1bR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-1b,8-Dihydroxy-8-(3-hydroxypropyl)-5a,7a-dimethyloctadecahydro-3H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-3-on [German] [ACD/IUPAC Name]
(1aR,1bR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-1b,8-Dihydroxy-8-(3-hydroxypropyl)-5a,7a-dimethyloctadecahydro-3H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-3-one [ACD/IUPAC Name]
(1aR,1bR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-1b,8-Dihydroxy-8-(3-hydroxypropyl)-5a,7a-diméthyloctadécahydro-3H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phénanthrén-3-one [French] [ACD/IUPAC Name]
1357252-81-3 [RN]
3H-Cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-3-one, octadecahydro-1b,8-dihydroxy-8-(3-hydroxypropyl)-5a,7a-dimethyl-, (1aR,1bR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)- [ACD/Index Name]
5-β-Hydroxy-Drospirenone-17-Propanol
PUBCHEM_71748995

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 297.4±26.6 °C
Index of Refraction: 1.605
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.40
ACD/KOC (pH 5.5): 352.55
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.40
ACD/KOC (pH 7.4): 352.55
Polar Surface Area: 78 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


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