ChemSpider 2D Image | 1,5-Anhydro-1-(2-{[17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-2-oxoethyl)hexitol | C28H38N2O9

1,5-Anhydro-1-(2-{[17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-2-oxoethyl)hexitol

  • Molecular FormulaC28H38N2O9
  • Average mass546.609 Da
  • Monoisotopic mass546.257751 Da
  • ChemSpider ID26234414

More details:

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

1,5-Anhydro-1-(2-{[17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-2-oxoethyl)hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-(2-{[17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-2-oxoethyl)hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-(2-{[17-(cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]amino}-2-oxoéthyl)hexitol [French] [ACD/IUPAC Name]
17-cyclopropylmethyl-3,14-β-dihydroxy-4,5-α-epoxy-6-α-[(D-glucopyranosyl)acetamido]morphinan
17-cyclopropylmethyl-3,14-β-dihydroxy-4,5-α-epoxy-6-β-(D-glucopyranosyl)acetamido]morphinan

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

Density: 1.6±0.1 g/cm3
Boiling Point: 854.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 470.7±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.65
Polar Surface Area: 172 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 347.1±5.0 cm3

Click to predict properties on the Chemicalize site


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