ChemSpider 2D Image | N'-{(E)-[(4bR,8aS,9S)-4b-Methoxy-7-oxo-4b,7,8,8a,9,10-hexahydro-9-phenanthrenyl]methylene}benzenesulfonohydrazide | C22H22N2O4S

N'-{(E)-[(4bR,8aS,9S)-4b-Methoxy-7-oxo-4b,7,8,8a,9,10-hexahydro-9-phenanthrenyl]methylene}benzenesulfonohydrazide

  • Molecular FormulaC22H22N2O4S
  • Average mass410.486 Da
  • Monoisotopic mass410.130035 Da
  • ChemSpider ID30660296

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonic acid, 2-[(1E)-[(4bR,8aS,9S)-4b,7,8,8a,9,10-hexahydro-4b-methoxy-7-oxo-9-phenanthrenyl]methylene]hydrazide [ACD/Index Name]
N'-{(E)-[(4bR,8aS,9S)-4b-Methoxy-7-oxo-4b,7,8,8a,9,10-hexahydro-9-phenanthrenyl]methylen}benzolsulfonohydrazid [German] [ACD/IUPAC Name]
N'-{(E)-[(4bR,8aS,9S)-4b-Methoxy-7-oxo-4b,7,8,8a,9,10-hexahydro-9-phenanthrenyl]methylene}benzenesulfonohydrazide [ACD/IUPAC Name]
N'-{(E)-[(4bR,8aS,9S)-4b-Méthoxy-7-oxo-4b,7,8,8a,9,10-hexahydro-9-phénanthrényl]méthylène}benzènesulfonohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 561.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.5±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.95
ACD/KOC (pH 5.5): 1615.01
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.90
ACD/KOC (pH 7.4): 1599.44
Polar Surface Area: 93 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

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