ChemSpider 2D Image | (1S,3aS,3bR,10bS)-1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,8,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol | C21H30N2O

(1S,3aS,3bR,10bS)-1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,8,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol

  • Molecular FormulaC21H30N2O
  • Average mass326.476 Da
  • Monoisotopic mass326.235809 Da
  • ChemSpider ID58817489

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1S,3aS,3bR,10bS)-1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,8,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol [German] [ACD/IUPAC Name]
(1S,3aS,3bR,10bS)-1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,8,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol [ACD/IUPAC Name]
(1S,3aS,3bR,10bS)-1,10a,12a-Triméthyl-1,2,3,3a,3b,4,5,8,10,10a,10b,11,12,12a-tétradécahydrocyclopenta[5,6]naphto[1,2-f]indazol-1-ol [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphth[1,2-f]indazol-1-ol, 1,2,3,3a,3b,4,5,8,10,10a,10b,11,12,12a-tetradecahydro-1,10a,12a-trimethyl-, (1S,3aS,3bR,10bS)- [ACD/Index Name]
5697-57-4 [RN]
hydroxystenozole [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.3±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1467.93
ACD/KOC (pH 5.5): 6417.94
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1478.88
ACD/KOC (pH 7.4): 6465.83
Polar Surface Area: 49 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 275.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement