ChemSpider 2D Image | (4aS,6aS,9S,10bR,12bS)-9-Benzyl-5,5-dimethyl-4,4a,5,6,6a,9,12a,12b-octahydro-1,7,12-trioxa-10-azapentaleno[1,6-cd]phenanthrene-8,11(2H)-dione | C24H25NO5

(4aS,6aS,9S,10bR,12bS)-9-Benzyl-5,5-dimethyl-4,4a,5,6,6a,9,12a,12b-octahydro-1,7,12-trioxa-10-azapentaleno[1,6-cd]phenanthrene-8,11(2H)-dione

  • Molecular FormulaC24H25NO5
  • Average mass407.459 Da
  • Monoisotopic mass407.173279 Da
  • ChemSpider ID58859224

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4aS,6aS,9S,10bR,12bS)-9-Benzyl-5,5-dimethyl-4,4a,5,6,6a,9,12a,12b-octahydro-1,7,12-trioxa-10-azapentaleno[1,6-cd]phenanthren-8,11(2H)-dion [German] [ACD/IUPAC Name]
(4aS,6aS,9S,10bR,12bS)-9-Benzyl-5,5-dimethyl-4,4a,5,6,6a,9,12a,12b-octahydro-1,7,12-trioxa-10-azapentaleno[1,6-cd]phenanthrene-8,11(2H)-dione [ACD/IUPAC Name]
(4aS,6aS,9S,10bR,12bS)-9-Benzyl-5,5-diméthyl-4,4a,5,6,6a,9,12a,12b-octahydro-1,7,12-trioxa-10-azapentaléno[1,6-cd]phénanthrène-8,11(2H)-dione [French] [ACD/IUPAC Name]
11H-1,7,12-Trioxa-10-azapentaleno[1,6-cd]phenanthrene-8,11(2H)-dione, 4,4a,5,6,6a,9,12a,12b-octahydro-5,5-dimethyl-9-(phenylmethyl)-, (4aS,6aS,9S,10bR,12bS)- [ACD/Index Name]
Schizine A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 271.8±25.9 °C
Index of Refraction: 1.709
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 816.45
ACD/KOC (pH 5.5): 4225.59
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 816.94
ACD/KOC (pH 7.4): 4228.09
Polar Surface Area: 74 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 275.3±7.0 cm3

Click to predict properties on the Chemicalize site


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