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Search term: IXPHHHSWTVEWTP-VWUQPSBSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-6-Methoxy-17-methyl-18-(2-methyl-2-propanyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C24H31NO3

(5α,6β,14β,18R)-6-Methoxy-17-methyl-18-(2-methyl-2-propanyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC24H31NO3
  • Average mass381.508 Da
  • Monoisotopic mass381.230408 Da
  • ChemSpider ID24670076

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α,6β,14β,18R)-6-Methoxy-17-methyl-18-(2-methyl-2-propanyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-6-Methoxy-17-methyl-18-(2-methyl-2-propanyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-6-Méthoxy-17-méthyl-18-(2-méthyl-2-propanyl)-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 7,8-didehydro-18-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-17-methyl-, (5α,6β,14β,18R)- [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: 501.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 257.2±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 10.91
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 80.56
ACD/KOC (pH 7.4): 547.98
Polar Surface Area: 42 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

Click to predict properties on the Chemicalize site


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