ChemSpider 2D Image | (1R,10S,12S,15S,16R,17S)-13-Methyl-15-vinyl-19-oxa-3,13-diazahexacyclo[14.3.1.0~2,10~.0~4,9~.0~10,15~.0~12,17~]icosa-2,4,6,8-tetraene | C20H22N2O

(1R,10S,12S,15S,16R,17S)-13-Methyl-15-vinyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene

  • Molecular FormulaC20H22N2O
  • Average mass306.401 Da
  • Monoisotopic mass306.173218 Da
  • ChemSpider ID28424242
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1R,10S,12S,15S,16R,17S)-13-Methyl-15-vinyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraen [German] [ACD/IUPAC Name]
(1R,10S,12S,15S,16R,17S)-13-Methyl-15-vinyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene [ACD/IUPAC Name]
(1R,10S,12S,15S,16R,17S)-13-Méthyl-15-vinyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tétraène [French] [ACD/IUPAC Name]
6,4-(Epoxymethano)-3,11b-methano-11bH-pyrido[4,3-c]carbazole, 11c-ethenyl-1,2,3,4,4a,5,6,11c-octahydro-2-methyl-, (3S,4S,4aR,6R,11bS,11cS)- [ACD/Index Name]
1358-76-5 [RN]
Koumine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.8±28.7 °C
Index of Refraction: 1.763
Molar Refractivity: 88.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 25.61
Polar Surface Area: 25 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 214.4±7.0 cm3

Click to predict properties on the Chemicalize site






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