ChemSpider 2D Image | (5alpha,8beta)-8-[Bis(2-chloroethyl)amino]-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol | C21H26Cl2N2O2

(5α,8β)-8-[Bis(2-chloroethyl)amino]-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol

  • Molecular FormulaC21H26Cl2N2O2
  • Average mass409.349 Da
  • Monoisotopic mass408.137146 Da
  • ChemSpider ID23111809

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5α,8β)-8-[Bis(2-chlorethyl)amino]-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,8β)-8-[Bis(2-chloroethyl)amino]-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol [ACD/IUPAC Name]
(5α,8β)-8-[Bis(2-chloroéthyl)amino]-17-méthyl-6,7-didéhydro-4,5-époxymorphinane-3-ol [French] [ACD/IUPAC Name]
Morphinan-3-ol, 8-[bis(2-chloroethyl)amino]-6,7-didehydro-4,5-epoxy-17-methyl-, (5α,8β)- [ACD/Index Name]
16-di(2-chloroethyl)amino-4-methyl-(13S,16S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),14-tetraen-10-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 251.8±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 4.98
ACD/KOC (pH 7.4): 67.24
Polar Surface Area: 36 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site


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