ChemSpider 2D Image | (1R,9R,10S,16S)-16-Methyl-6,14-diazatetracyclo[7.5.3.0~1,10~.0~2,7~]heptadeca-2,4,6-trien-9-ol | C16H22N2O

(1R,9R,10S,16S)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-9-ol

  • Molecular FormulaC16H22N2O
  • Average mass258.359 Da
  • Monoisotopic mass258.173218 Da
  • ChemSpider ID29784934

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,9R,10S,16S)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-9-ol [German] [ACD/IUPAC Name]
(1R,9R,10S,16S)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-9-ol [ACD/IUPAC Name]
(1R,9R,10S,16S)-16-Méthyl-6,14-diazatétracyclo[7.5.3.01,10.02,7]heptadéca-2,4,6-trién-9-ol [French] [ACD/IUPAC Name]
1H-5,10b-Propano-1,7-phenanthrolin-5(6H)-ol, 2,3,4,4a-tetrahydro-12-methyl-, (4aS,5R,10bR,12S)- [ACD/Index Name]
casuarinine J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.0±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.20
Polar Surface Area: 45 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 213.7±5.0 cm3

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