ChemSpider 2D Image | Methyl 2-[(3R)-3,12-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate | C27H42O6

Methyl 2-[(3R)-3,12-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID22890236

  • defined stereocentres - 1 of 10 defined stereocentres

More details:

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

2-[(3R)-3,12-Diacétoxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(3R)-3,12-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate [ACD/IUPAC Name]
Methyl-2-[(3R)-3,12-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 507.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 212.8±26.0 °C
Index of Refraction: 1.518
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9166.89
ACD/KOC (pH 5.5): 23864.26
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9166.89
ACD/KOC (pH 7.4): 23864.26
Polar Surface Area: 79 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 410.0±5.0 cm3

Click to predict properties on the Chemicalize site


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