ChemSpider 2D Image | 20-(HYDROXYMETHYL)PREGNA-1,4-DIEN-3-ONE | C22H32O2

20-(HYDROXYMETHYL)PREGNA-1,4-DIEN-3-ONE

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID20045294

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(8S,9S,10R,13S,14S,17R)-17-(1-Hydroxy-2-propanyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(8S,9S,10R,13S,14S,17R)-17-(1-Hydroxy-2-propanyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(8S,9S,10R,13S,14S,17R)-17-(1-Hydroxy-2-propanyl)-10,13-diméthyl-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
(8S,9S,10R,13S,14S,17R)-17-(1-Hydroxypropan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
20-(HYDROXYMETHYL)PREGNA-1,4-DIEN-3-ONE
21-hydroxy-20-methylpregna-1,4-dien-3-one
275-773-2 [EINECS]
35525-27-0 [RN]
71658-22-5 [RN]
(8S,9S,10R,13S,14S,17R)-17-(1-Hydroxypropan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 466.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 198.2±12.7 °C
Index of Refraction: 1.560
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1248.34
ACD/KOC (pH 5.5): 5727.35
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1248.34
ACD/KOC (pH 7.4): 5727.35
Polar Surface Area: 37 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 299.5±5.0 cm3

Click to predict properties on the Chemicalize site


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