Found 82 results

Search term: MF = 'C_{31}H_{47}NO_{4}'
ChemSpider 2D Image | Benzyl {(3R)-3-[(3R,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}carbamate | C31H47NO4

Benzyl {(3R)-3-[(3R,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}carbamate

  • Molecular FormulaC31H47NO4
  • Average mass497.709 Da
  • Monoisotopic mass497.350494 Da
  • ChemSpider ID31106908

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

{(3R)-3-[(3R,7R,8R,9S,10S,13R,14S)-3,7-Dihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]butyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(3R)-3-[(3R,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}carbamate [ACD/IUPAC Name]
Benzyl-{(3R)-3-[(3R,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}carbamat [German] [ACD/IUPAC Name]
CHEMBL3138090

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.4±27.3 °C
Index of Refraction: 1.557
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13344.41
ACD/KOC (pH 5.5): 31223.19
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13344.34
ACD/KOC (pH 7.4): 31223.02
Polar Surface Area: 79 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 442.7±3.0 cm3

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