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Search term: RRTNNKAMIQBWLV-ABHTWIJBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5alpha,6alpha)-17-Methyl-14-sulfanyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol | C17H19NO3S

(5α,6α)-17-Methyl-14-sulfanyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol

  • Molecular FormulaC17H19NO3S
  • Average mass317.403 Da
  • Monoisotopic mass317.108551 Da
  • ChemSpider ID23139706

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5α,6α)-17-Methyl-14-sulfanyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
(5α,6α)-17-Methyl-14-sulfanyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
(5α,6α)-17-Méthyl-14-sulfanyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-14-mercapto-17-methyl-, (5α,6α)- [ACD/Index Name]
4-methyl-17-sulfanyl-(13R,14S,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 512.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.6±30.1 °C
Index of Refraction: 1.746
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 69.60
Polar Surface Area: 92 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 211.6±5.0 cm3

Click to predict properties on the Chemicalize site


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