ChemSpider 2D Image | (S)-(-)-Kreysigine | C22H27NO5

(S)-(-)-Kreysigine

  • Molecular FormulaC22H27NO5
  • Average mass385.453 Da
  • Monoisotopic mass385.188934 Da
  • ChemSpider ID30859159

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(-)-Kreysigine
(-)-Kreysigine
(6aS)-2,10,11,12-Tetramethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isochinolin-1-ol [German] [ACD/IUPAC Name]
(6aS)-2,10,11,12-Tétraméthoxy-6-méthyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoléin-1-ol [French] [ACD/IUPAC Name]
(6aS)-2,10,11,12-Tetramethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinolin-1-ol [ACD/IUPAC Name]
Benzo[6,7]cyclohept[1,2,3-ij]isoquinolin-1-ol, 4,5,6,6a,7,8-hexahydro-2,10,11,12-tetramethoxy-6-methyl-, (6aS)- [ACD/Index Name]
Kreysigine
(10S)-3,4,5,16-Tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-17-ol
23117-57-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 7.48
ACD/KOC (pH 5.5): 69.20
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 89.87
ACD/KOC (pH 7.4): 831.16
Polar Surface Area: 60 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 321.0±3.0 cm3

Click to predict properties on the Chemicalize site


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