ChemSpider 2D Image | (2S,6R,11S)-6,11-dimethyl-3-[(2S)-tetrahydrofuran-2-ylmethyl]-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol | C19H27NO2

(2S,6R,11S)-6,11-dimethyl-3-[(2S)-tetrahydrofuran-2-ylmethyl]-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

  • Molecular FormulaC19H27NO2
  • Average mass301.423 Da
  • Monoisotopic mass301.204193 Da
  • ChemSpider ID23170999

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,9S,13S)-1,13-Dimethyl-10-[(2S)-tetrahydro-2-furanylmethyl]-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1R,9S,13S)-1,13-Dimethyl-10-[(2S)-tetrahydro-2-furanylmethyl]-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1R,9S,13S)-1,13-Diméthyl-10-[(2S)-tétrahydro-2-furanylméthyl]-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
(2S,6R,11S)-6,11-dimethyl-3-[(2S)-tetrahydrofuran-2-ylmethyl]-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-[[(2S)-tetrahydro-2-furanyl]methyl]-, (2S,6R,11S)- [ACD/Index Name]
(1R,9S,13S)-1,13-dimethyl-10-[(2S)-oxolan-2-ylmethyl]-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
MR-2035

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

Density: 1.1±0.1 g/cm3
Boiling Point: 440.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 220.1±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 11.27
ACD/KOC (pH 7.4): 95.47
Polar Surface Area: 33 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

Click to predict properties on the Chemicalize site


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