ChemSpider 2D Image | Benzyl 17-(cyclobutylmethyl)morphinan-3-yl sebacate | C38H51NO4

Benzyl 17-(cyclobutylmethyl)morphinan-3-yl sebacate

  • Molecular FormulaC38H51NO4
  • Average mass585.816 Da
  • Monoisotopic mass585.381836 Da
  • ChemSpider ID9867513

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzyl 17-(cyclobutylmethyl)morphinan-3-yl sebacate [ACD/IUPAC Name]
Benzyl-17-(cyclobutylmethyl)morphinan-3-ylsebacat [German] [ACD/IUPAC Name]
Decanedioic acid, 17-(cyclobutylmethyl)morphinan-3-yl phenylmethyl ester [ACD/Index Name]
Sébacate de benzyle et de 17-(cyclobutylméthyl)morphinane-3-yle [French] [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: 687.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.4±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 5526.48
ACD/KOC (pH 5.5): 2626.56
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 201014.95
ACD/KOC (pH 7.4): 95535.87
Polar Surface Area: 56 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 509.6±5.0 cm3

Click to predict properties on the Chemicalize site


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