ChemSpider 2D Image | (-)-Leuconicine A | C22H23N3O2

(-)-Leuconicine A

  • Molecular FormulaC22H23N3O2
  • Average mass361.437 Da
  • Monoisotopic mass361.179016 Da
  • ChemSpider ID24676874

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-Leuconicine A
(1R,13S,14S,19S)-14-Ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,10,12(21)-pentaen-10-carboxamid [German] [ACD/IUPAC Name]
(1R,13S,14S,19S)-14-Ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,10,12(21)-pentaene-10-carboxamide [ACD/IUPAC Name]
(1R,13S,14S,19S)-14-Éthyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicosa-2,4,6,10,12(21)-pentaène-10-carboxamide [French] [ACD/IUPAC Name]
12H-1,12-Ethano-9H-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazole-10-carboxamide, 14-ethyl-2,3,13,13a-tetrahydro-9-oxo-, (3aR,12S,13aS,14S)- [ACD/Index Name]
LEUCONICINE A
MELODININE A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.2±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.76
Polar Surface Area: 67 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

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