ChemSpider 2D Image | (5beta,6beta,9alpha,13alpha,14alpha)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol | C20H25NO4

(5β,6β,9α,13α,14α)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol

  • Molecular FormulaC20H25NO4
  • Average mass343.417 Da
  • Monoisotopic mass343.178345 Da
  • ChemSpider ID59007800

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5β,6β,9α,13α,14α)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol [German] [ACD/IUPAC Name]
(5β,6β,9α,13α,14α)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol [ACD/IUPAC Name]
(5β,6β,9α,13α,14α)-17-(Cyclopropylméthyl)-4,5-époxymorphinane-3,6,14-triol [French] [ACD/IUPAC Name]
Morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-, (5β,6β,9α,13α,14α)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 557.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 291.0±30.1 °C
Index of Refraction: 1.719
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.15
ACD/KOC (pH 7.4): 58.92
Polar Surface Area: 73 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 231.9±5.0 cm3

Click to predict properties on the Chemicalize site


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