ChemSpider 2D Image | (1R,3aR,3bS,5aR,10aR,10bR,12aR)-10a,12a-Dimethyl-1-(~2~H_3_)methyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,9-diol | C21H29D3N2O2

(1R,3aR,3bS,5aR,10aR,10bR,12aR)-10a,12a-Dimethyl-1-(2H3)methyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,9-diol

  • Molecular FormulaC21H29D3N2O2
  • Average mass347.509 Da
  • Monoisotopic mass347.265198 Da
  • ChemSpider ID111313477

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3aR,3bS,5aR,10aR,10bR,12aR)-10a,12a-Dimethyl-1-(2H3)methyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1,9-diol [German] [ACD/IUPAC Name]
(1R,3aR,3bS,5aR,10aR,10bR,12aR)-10a,12a-Dimethyl-1-(2H3)methyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,9-diol [ACD/IUPAC Name]
(1R,3aR,3bS,5aR,10aR,10bR,12aR)-10a,12a-Diméthyl-1-(2H3)méthyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadécahydrocyclopenta[5,6]naphto[1,2-f]indazole-1,9-diol [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphth[1,2-f]indazole-1,9-diol, 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydro-10a,12a-dimethyl-1-(methyl-d3)-, (1R,3aR,3bS,5aR,10aR,10bR,12aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 274.1±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1778.55
ACD/KOC (pH 5.5): 6739.04
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1771.25
ACD/KOC (pH 7.4): 6711.38
Polar Surface Area: 69 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

Click to predict properties on the Chemicalize site


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