Found 47 results

Search term: MF = 'C_{31}H_{28}N_{2}O_{6}S_{2}'
ChemSpider 2D Image | N,N'-[(1R,2S,7R,8R)-4,7-Dimethyl-9-oxo-1-phenyl-12-oxatricyclo[6.3.1.0~2,7~]dodec-4-ene-3,6-diylidene]dibenzenesulfonamide | C31H28N2O6S2

N,N'-[(1R,2S,7R,8R)-4,7-Dimethyl-9-oxo-1-phenyl-12-oxatricyclo[6.3.1.02,7]dodec-4-ene-3,6-diylidene]dibenzenesulfonamide

  • Molecular FormulaC31H28N2O6S2
  • Average mass588.694 Da
  • Monoisotopic mass588.138855 Da
  • ChemSpider ID9482792

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzenesulfonamide, N,N'-[(4aR,5R,9R,9aS)-4a,6,7,8,9,9a-hexahydro-2,4a-dimethyl-6-oxo-9-phenyl-5,9-epoxy-1H-benzocycloheptene-1,4(5H)-diylidene]bis- [ACD/Index Name]
N,N'-[(1R,2S,7R,8R)-4,7-Dimethyl-9-oxo-1-phenyl-12-oxatricyclo[6.3.1.02,7]dodec-4-en-3,6-diyliden]dibenzolsulfonamid [German] [ACD/IUPAC Name]
N,N'-[(1R,2S,7R,8R)-4,7-Dimethyl-9-oxo-1-phenyl-12-oxatricyclo[6.3.1.02,7]dodec-4-ene-3,6-diylidene]dibenzenesulfonamide [ACD/IUPAC Name]
N,N'-[(1R,2S,7R,8R)-4,7-Diméthyl-9-oxo-1-phényl-12-oxatricyclo[6.3.1.02,7]dodéc-4-ène-3,6-diylidène]dibenzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 412.9±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3180.53
ACD/KOC (pH 5.5): 11186.24
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3180.53
ACD/KOC (pH 7.4): 11186.24
Polar Surface Area: 136 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 422.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement