ChemSpider 2D Image | (12alpha)-12-Hydroxy-13,14-didehydromatridin-15-one | C15H22N2O2

(12α)-12-Hydroxy-13,14-didehydromatridin-15-one

  • Molecular FormulaC15H22N2O2
  • Average mass262.347 Da
  • Monoisotopic mass262.168121 Da
  • ChemSpider ID23267238

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(12α)-12-Hydroxy-13,14-didehydromatridin-15-on [German] [ACD/IUPAC Name]
(12α)-12-Hydroxy-13,14-didehydromatridin-15-one [ACD/IUPAC Name]
(12α)-12-Hydroxy-13,14-didéhydromatridin-15-one [French] [ACD/IUPAC Name]
1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13,13a,13b,13c-decahydro-13-hydroxy-, (7aS,13S,13aS,13bS,13cS)- [ACD/Index Name]
(+)-12a-hydroxysophocarpine
(+)-12α-Hydroxysophocarpine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL441175/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 244.8±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 44 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 204.7±5.0 cm3

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