ChemSpider 2D Image | (5R)-5-[(5alpha,7alpha)-17-(Cyclopropylmethyl)-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethenomorphinan-7-yl]-3-methylenedihydro-2(3H)-furanone | C28H31NO5

(5R)-5-[(5α,7α)-17-(Cyclopropylmethyl)-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethenomorphinan-7-yl]-3-methylenedihydro-2(3H)-furanone

  • Molecular FormulaC28H31NO5
  • Average mass461.549 Da
  • Monoisotopic mass461.220215 Da
  • ChemSpider ID30843355

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R)-5-[(5α,7α)-17-(Cyclopropylmethyl)-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethenomorphinan-7-yl]-3-methylendihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(5α,7α)-17-(Cyclopropylmethyl)-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethenomorphinan-7-yl]-3-methylenedihydro-2(3H)-furanone [ACD/IUPAC Name]
(5R)-5-[(5α,7α)-17-(Cyclopropylméthyl)-3-hydroxy-6-méthoxy-4,5-époxy-6,14-éthénomorphinane-7-yl]-3-méthylènedihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(5α,7α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-methoxy-6,14-ethenomorphinan-7-yl]dihydro-3-methylene-, (5R)- [ACD/Index 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: 1.686
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.92
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 7.10
ACD/KOC (pH 7.4): 114.80
Polar Surface Area: 68 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 327.2±5.0 cm3

Click to predict properties on the Chemicalize site


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