ChemSpider 2D Image | (5alpha,6beta)-17-Methyl-6-[(5-nitro-2-pyridinyl)disulfanyl]-4,5-epoxymorphinan-3-ol | C22H23N3O4S2

(5α,6β)-17-Methyl-6-[(5-nitro-2-pyridinyl)disulfanyl]-4,5-epoxymorphinan-3-ol

  • Molecular FormulaC22H23N3O4S2
  • Average mass457.566 Da
  • Monoisotopic mass457.113007 Da
  • ChemSpider ID23137470

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5α,6β)-17-Methyl-6-[(5-nitro-2-pyridinyl)disulfanyl]-4,5-epoxymorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β)-17-Methyl-6-[(5-nitro-2-pyridinyl)disulfanyl]-4,5-epoxymorphinan-3-ol [ACD/IUPAC Name]
(5α,6β)-17-Méthyl-6-[(5-nitro-2-pyridinyl)disulfanyl]-4,5-époxymorphinane-3-ol [French] [ACD/IUPAC Name]
Morphinan-3-ol, 4,5-epoxy-17-methyl-6-[(5-nitro-2-pyridinyl)dithio]-, (5α,6β)- [ACD/Index Name]
4-methyl-14-(5-nitro-2-pyridyldisulfanyl)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-10-ol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.750
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 12.92
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 118.09
ACD/KOC (pH 7.4): 637.91
Polar Surface Area: 142 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 297.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement