ChemSpider 2D Image | 7-HYDROXYMETHYL 3,5(6)-DIENE DROSPIRENONE | C24H32O3

7-HYDROXYMETHYL 3,5(6)-DIENE DROSPIRENONE

  • Molecular FormulaC24H32O3
  • Average mass368.509 Da
  • Monoisotopic mass368.235138 Da
  • ChemSpider ID32700831

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9R)-9-(Hydroxymethyl)-4a,6a-dimethyl-3',4,4',4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydro-3H,5'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-5'-one [ACD/IUPAC Name]
7-HYDROXYMETHYL 3,5(6)-DIENE DROSPIRENONE
Spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7(3H),2'(5'H)-furan]-5'-one, 3',4,4',4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydro-9-(hydroxymethyl)-4a,6a-dimethyl-, (4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9 R)- [ACD/Index Name]

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

QJQ9MK413M [DBID]
UNII:QJQ9MK413M [DBID]
UNII-QJQ9MK413M [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 226.9±22.9 °C
Index of Refraction: 1.605
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 364.74
ACD/KOC (pH 5.5): 2373.93
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.74
ACD/KOC (pH 7.4): 2373.93
Polar Surface Area: 47 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 301.4±5.0 cm3

Click to predict properties on the Chemicalize site


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