ChemSpider 2D Image | (3S,3aR,9bS)-9b-[2-(Dimethylamino)ethyl]-5-methoxy-3,3a,9a,9b-tetrahydrophenanthro[4,5-bcd]furan-3-ol | C19H23NO3

(3S,3aR,9bS)-9b-[2-(Dimethylamino)ethyl]-5-methoxy-3,3a,9a,9b-tetrahydrophenanthro[4,5-bcd]furan-3-ol

  • Molecular FormulaC19H23NO3
  • Average mass313.391 Da
  • Monoisotopic mass313.167786 Da
  • ChemSpider ID27524692

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,3aR,9bS)-9b-[2-(Dimethylamino)ethyl]-5-methoxy-3,3a,9a,9b-tetrahydrophenanthro[4,5-bcd]furan-3-ol [German] [ACD/IUPAC Name]
(3S,3aR,9bS)-9b-[2-(Dimethylamino)ethyl]-5-methoxy-3,3a,9a,9b-tetrahydrophenanthro[4,5-bcd]furan-3-ol [ACD/IUPAC Name]
(3S,3aR,9bS)-9b-[2-(Diméthylamino)éthyl]-5-méthoxy-3,3a,9a,9b-tétrahydrophénanthro[4,5-bcd]furan-3-ol [French] [ACD/IUPAC Name]
Phenanthro[4,5-bcd]furan-3-ol, 9b-[2-(dimethylamino)ethyl]-3,3a,9a,9b-tetrahydro-5-methoxy-, (3S,3aR,9bS)- [ACD/Index Name]
23950-06-3 [RN]
Codeimethine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.4±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 42 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

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