ChemSpider 2D Image | (14xi)-7-Benzyl-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one | C27H29NO4

(14ξ)-7-Benzyl-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one

  • Molecular FormulaC27H29NO4
  • Average mass431.523 Da
  • Monoisotopic mass431.209656 Da
  • ChemSpider ID28689365

More details:






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

(14ξ)-7-Benzyl-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(14ξ)-7-Benzyl-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(14ξ)-7-Benzyl-17-(cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethyl)-, (14ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.5±31.5 °C
Index of Refraction: 1.708
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 15.95
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 101.63
ACD/KOC (pH 7.4): 710.65
Polar Surface Area: 70 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

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