ChemSpider 2D Image | Thienorphine | C31H39NO4S

Thienorphine

  • Molecular FormulaC31H39NO4S
  • Average mass521.711 Da
  • Monoisotopic mass521.259949 Da
  • ChemSpider ID58539334

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,14β,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-4-(2-thienyl)-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,14β,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-4-(2-thienyl)-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,14β,18R)-17-(Cyclopropylméthyl)-18-[(2R)-2-hydroxy-4-(2-thiényl)-2-butanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1-methyl-3-(2-thienyl)propyl]-6-methoxy-, (5α,14β,18R)- [ACD/Index Name]
Thienorphine [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 19.62
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 230.31
ACD/KOC (pH 7.4): 919.14
Polar Surface Area: 90 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 384.4±5.0 cm3

Click to predict properties on the Chemicalize site


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