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

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

  • Molecular FormulaC28H38N2O9
  • Average mass546.609 Da
  • Monoisotopic mass546.257751 Da
  • ChemSpider ID23325161

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(2-{[(5α,6α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-2-oxoethyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(2-{[(5α,6α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-2-oxoethyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(2-{[(5α,6α)-17-(cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]amino}-2-oxoéthyl)-D-glucitol [French] [ACD/IUPAC Name]
N-[(1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yl]-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetamide (non-preferred name)
17-cyclopropylmethyl-3,14-β-dihydroxy-4,5-α-epoxy-6-α-[(D-glucopyranosyl)acetamido]morphinan
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL272181/

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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