ChemSpider 2D Image | (5alpha,6alpha)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl di(1-naphthoate) | C39H31NO5

(5α,6α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl di(1-naphthoate)

  • Molecular FormulaC39H31NO5
  • Average mass593.667 Da
  • Monoisotopic mass593.220215 Da
  • ChemSpider ID21181526

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,6α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl di(1-naphthoate) [ACD/IUPAC Name]
(5α,6α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl-di(1-naphthoat) [German] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl ester [ACD/Index Name]
Di(1-naphtoate) de (5α,6α)-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diyle [French] [ACD/IUPAC Name]

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: 1.750
Molar Refractivity: 172.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 2751.78
ACD/KOC (pH 5.5): 2422.42
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 132345.41
ACD/KOC (pH 7.4): 116504.92
Polar Surface Area: 65 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


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