ChemSpider 2D Image | (14alpha)-17-(Cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl 17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl sebacate | C52H68N2O10

(14α)-17-(Cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl 17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl sebacate

  • Molecular FormulaC52H68N2O10
  • Average mass881.104 Da
  • Monoisotopic mass880.487366 Da
  • ChemSpider ID9403370

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(14α)-17-(Cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl 17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl sebacate [ACD/IUPAC Name]
(14α)-17-(Cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl-17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-ylsebacat [German] [ACD/IUPAC Name]
Decanedioic acid, (14α)-17-(cyclobutylmethyl)-4,5-epoxy-6,14-dihydroxymorphinan-3-yl 17-(cyclobutylmethyl)-4,5-epoxy-6,14-dihydroxymorphinan-3-yl ester [ACD/Index Name]
Sébacate de (14α)-17-(cyclobutylméthyl)-6,14-dihydroxy-4,5-époxymorphinane-3-yle et de 17-(cyclobutylméthyl)-6,14-dihydroxy-4,5-époxymorphinane-3-yle [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: 1.677
Molar Refractivity: 237.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 4.48
ACD/KOC (pH 5.5): 7.67
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 2881.22
ACD/KOC (pH 7.4): 4935.59
Polar Surface Area: 158 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 629.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement