ChemSpider 2D Image | (6beta,9alpha,13alpha,14alpha)-4-(Benzyloxy)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol | C26H31NO4

(6β,9α,13α,14α)-4-(Benzyloxy)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol

  • Molecular FormulaC26H31NO4
  • Average mass421.529 Da
  • Monoisotopic mass421.225311 Da
  • ChemSpider ID30657018

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6β,9α,13α,14α)-4-(Benzyloxy)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol [German] [ACD/IUPAC Name]
(6β,9α,13α,14α)-4-(Benzyloxy)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol [ACD/IUPAC Name]
(6β,9α,13α,14α)-4-(Benzyloxy)-3,7-diméthoxy-17-méthyl-7,8-didéhydromorphinane-6-ol [French] [ACD/IUPAC Name]
Morphinan-6-ol, 7,8-didehydro-3,7-dimethoxy-17-methyl-4-(phenylmethoxy)-, (6β,9α,13α,14α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.76
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 26.31
ACD/KOC (pH 7.4): 241.15
Polar Surface Area: 51 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 337.8±5.0 cm3

Click to predict properties on the Chemicalize site


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