ChemSpider 2D Image | Androcymbine | C21H25NO5

Androcymbine

  • Molecular FormulaC21H25NO5
  • Average mass371.427 Da
  • Monoisotopic mass371.173279 Da
  • ChemSpider ID30791153

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,10S)-4-Hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-on [German] [ACD/IUPAC Name]
(1R,10S)-4-Hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one [ACD/IUPAC Name]
(1R,10S)-4-Hydroxy-3,5,14-triméthoxy-18-méthyl-18-azatétracyclo[8.5.3.01,11.02,7]octadéca-2,4,6,11,14-pentaén-13-one [French] [ACD/IUPAC Name]
5,11b-(Iminoethano)-11bH-dibenzo[a,c]cyclohepten-3(5H)-one, 6,7-dihydro-10-hydroxy-2,9,11-trimethoxy-14-methyl-, (5S,11bR)- [ACD/Index Name]
Androcymbine
2115-98-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.97
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.36
ACD/KOC (pH 7.4): 160.66
Polar Surface Area: 68 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 283.7±5.0 cm3

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