ChemSpider 2D Image | (9alpha,13alpha,14alpha)-4-Hydroxy-2-[(9alpha,13alpha,14alpha)-4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-2-yl]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one | C38H44N2O8

(9α,13α,14α)-4-Hydroxy-2-[(9α,13α,14α)-4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-2-yl]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one

  • Molecular FormulaC38H44N2O8
  • Average mass656.765 Da
  • Monoisotopic mass656.309753 Da
  • ChemSpider ID23314621

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(9α,13α,14α)-4-Hydroxy-2-[(9α,13α,14α)-4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-2-yl]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-on [German] [ACD/IUPAC Name]
(9α,13α,14α)-4-Hydroxy-2-[(9α,13α,14α)-4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-2-yl]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one [ACD/IUPAC Name]
(9α,13α,14α)-4-Hydroxy-2-[(9α,13α,14α)-4-hydroxy-3,7-diméthoxy-17-méthyl-6-oxo-7,8-didéhydromorphinane-2-yl]-3,7-diméthoxy-17-méthyl-7,8-didéhydromorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-2-[(9α,13α,14α)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-6-oxomorphinan-2-yl]-4-hydroxy-3,7-dimethoxy-17-methyl-, (9α,13α,14α)- [ACD/Index Name]
2,2'-disinomenine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 176.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.42
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.04
ACD/KOC (pH 7.4): 351.52
Polar Surface Area: 118 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 469.0±5.0 cm3

Click to predict properties on the Chemicalize site


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