ChemSpider 2D Image | (5alpha)-17-Allyl-2-[(5alpha)-17-allyl-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-2-yl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one | C38H40N2O8

(5α)-17-Allyl-2-[(5α)-17-allyl-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-2-yl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID107433173

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α)-17-Allyl-2-[(5α)-17-allyl-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-2-yl]-3,14-dihydroxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-17-Allyl-2-[(5α)-17-allyl-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-2-yl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-17-Allyl-2-[(5α)-17-allyl-3,14-dihydroxy-6-oxo-4,5-époxymorphinane-2-yl]-3,14-dihydroxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-2-[(5α)-4,5-epoxy-3,14-dihydroxy-6-oxo-17-(2-propen-1-yl)morphinan-2-yl]-3,14-dihydroxy-17-(2-propen-1-yl)-, (5α)- [ACD/Index Name]
2,2'-Bisnaloxone
211738-08-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.22
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.32
ACD/KOC (pH 7.4): 117.57
Polar Surface Area: 140 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 419.0±5.0 cm3

Click to predict properties on the Chemicalize site


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