ChemSpider 2D Image | (6alpha,7beta,8beta)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-ol | C18H21NO4

(6α,7β,8β)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-ol

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID23233082

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(6α,7β,8β)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-ol [ACD/IUPAC Name]
(6α,7β,8β)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-ol [German] [ACD/IUPAC Name]
(6α,7β,8β)-3-Méthoxy-17-méthyl-4,5:7,8-diépoxymorphinane-6-ol [French] [ACD/IUPAC Name]
Morphinan-6-ol, 4,5:7,8-diepoxy-3-methoxy-17-methyl-, (6α,7β,8β)- [ACD/Index Name]
10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(Codeine)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.5±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.55
Polar Surface Area: 54 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement