ChemSpider 2D Image | 2-Methyl-2-propanyl [6-({[(5alpha,6beta,14beta,18S)-3-hydroxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]carbonyl}amino)hexyl]carbamate | C32H45N3O6

2-Methyl-2-propanyl [6-({[(5α,6β,14β,18S)-3-hydroxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]carbonyl}amino)hexyl]carbamate

  • Molecular FormulaC32H45N3O6
  • Average mass567.716 Da
  • Monoisotopic mass567.330811 Da
  • ChemSpider ID58921114

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[6-({[(5α,6β,14β,18S)-3-Hydroxy-6-méthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-yl]carbonyl}amino)hexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [6-({[(5α,6β,14β,18S)-3-hydroxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]carbonyl}amino)hexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[6-({[(5α,6β,14β,18S)-3-hydroxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]carbonyl}amino)hexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[6-[[[(5α,6β,14β,18S)-7,8-didehydro-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-17-methyl-6,14-ethenomorphinan-18-yl]carbonyl]amino]hexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 408.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 22.21
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 110.44
ACD/KOC (pH 7.4): 831.94
Polar Surface Area: 109 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 444.7±5.0 cm3

Click to predict properties on the Chemicalize site


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