ChemSpider 2D Image | (5alpha)-3,14-Dihydroxy-17-(3-methyl-2-buten-1-yl)-4,5-epoxymorphinan-6-one | C21H25NO4

(5α)-3,14-Dihydroxy-17-(3-methyl-2-buten-1-yl)-4,5-epoxymorphinan-6-one

  • Molecular FormulaC21H25NO4
  • Average mass355.427 Da
  • Monoisotopic mass355.178345 Da
  • ChemSpider ID58816189
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(5α)-3,14-Dihydroxy-17-(3-methyl-2-buten-1-yl)-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-3,14-Dihydroxy-17-(3-methyl-2-buten-1-yl)-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-3,14-Dihydroxy-17-(3-méthyl-2-butén-1-yl)-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(3-methyl-2-buten-1-yl)-, (5α)- [ACD/Index Name]
16676-26-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 550.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 154.58
Polar Surface Area: 70 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

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