ChemSpider 2D Image | 1-(Hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | C24H25NO3

1-(Hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

  • Molecular FormulaC24H25NO3
  • Average mass375.460 Da
  • Monoisotopic mass375.183441 Da
  • ChemSpider ID21542346

More details:






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

1-(Hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-16,18-dion [German] [ACD/IUPAC Name]
1-(Hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione [ACD/IUPAC Name]
1-(Hydroxyméthyl)-17-pentyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaène-16,18-dione [French] [ACD/IUPAC Name]
(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE
DAI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4963.00
ACD/KOC (pH 5.5): 15381.78
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4963.00
ACD/KOC (pH 7.4): 15381.78
Polar Surface Area: 58 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 301.3±3.0 cm3

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