ChemSpider 2D Image | [6-Methoxy-10-methylene-4,7-bis(phenylsulfonyl)-1,2,3,4,7,8,9,10-octahydro-4,7-phenanthrolin-1-yl]methyl acetate | C29H30N2O7S2

[6-Methoxy-10-methylene-4,7-bis(phenylsulfonyl)-1,2,3,4,7,8,9,10-octahydro-4,7-phenanthrolin-1-yl]methyl acetate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID10002666

More details:

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

[6-Methoxy-10-methylen-4,7-bis(phenylsulfonyl)-1,2,3,4,7,8,9,10-octahydro-4,7-phenanthrolin-1-yl]methyl-acetat [German] [ACD/IUPAC Name]
[6-Methoxy-10-methylene-4,7-bis(phenylsulfonyl)-1,2,3,4,7,8,9,10-octahydro-4,7-phenanthrolin-1-yl]methyl acetate [ACD/IUPAC Name]
4,7-Phenanthroline-1-methanol, 1,2,3,4,7,8,9,10-octahydro-6-methoxy-10-methylene-4,7-bis(phenylsulfonyl)-, acetate (ester) [ACD/Index Name]
Acétate de [6-méthoxy-10-méthylène-4,7-bis(phénylsulfonyl)-1,2,3,4,7,8,9,10-octahydro-4,7-phénanthrolin-1-yl]méthyle [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: 757.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.8±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 863.25
ACD/KOC (pH 5.5): 4398.34
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 863.25
ACD/KOC (pH 7.4): 4398.34
Polar Surface Area: 127 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 404.1±5.0 cm3

Click to predict properties on the Chemicalize site


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