ChemSpider 2D Image | (5R)-5-[(1R,3aS,3bS,10aR,10bS,12aR)-7-Acetyl-6,6,10a,12a-tetramethyl-1,2,3,3a,3b,4,6,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[7,8]phenanthro[2,3-d]imidazol-1-yl]-1-(4-morpholinyl)-1-hexanone | C34H51N3O3

(5R)-5-[(1R,3aS,3bS,10aR,10bS,12aR)-7-Acetyl-6,6,10a,12a-tetramethyl-1,2,3,3a,3b,4,6,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[7,8]phenanthro[2,3-d]imidazol-1-yl]-1-(4-morpholinyl)-1-hexanone

  • Molecular FormulaC34H51N3O3
  • Average mass549.787 Da
  • Monoisotopic mass549.393066 Da
  • ChemSpider ID129237769

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R)-5-[(1R,3aS,3bS,10aR,10bS,12aR)-7-Acetyl-6,6,10a,12a-tetramethyl-1,2,3,3a,3b,4,6,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[7,8]phenanthro[2,3-d]imidazol-1-yl]-1-(4-morpholinyl)-1-hexanon [German] [ACD/IUPAC Name]
(5R)-5-[(1R,3aS,3bS,10aR,10bS,12aR)-7-Acetyl-6,6,10a,12a-tetramethyl-1,2,3,3a,3b,4,6,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[7,8]phenanthro[2,3-d]imidazol-1-yl]-1-(4-morpholinyl)-1-hexanone [ACD/IUPAC Name]
(5R)-5-[(1R,3aS,3bS,10aR,10bS,12aR)-7-Acétyl-6,6,10a,12a-tétraméthyl-1,2,3,3a,3b,4,6,7,10,10a,10b,11,12,12a-tétradécahydrocyclopenta[7,8]phénanthro[2,3-d]imidazol-1-yl]-1-(4-morpholinyl)-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 5-[(1R,3aS,3bS,10aR,10bS,12aR)-7-acetyl-1,2,3,3a,3b,4,6,7,10,10a,10b,11,12,12a-tetradecahydro-6,6,10a,12a-tetramethylcyclopenta[7,8]phenanthro[2,3-d]imidazol-1-yl]-1-(4-morpholinyl)-, (5R) - [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: 678.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 147167.97
ACD/KOC (pH 5.5): 171697.17
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 154321.19
ACD/KOC (pH 7.4): 180042.64
Polar Surface Area: 64 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 446.2±7.0 cm3

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