ChemSpider 2D Image | N,N'-{5-[Cyclopropyl(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydro-4H-cycloocta[b]pyran-3-yl)methyl]-1,3-phenylene}dimethanesulfonamide | C23H30N2O7S2

N,N'-{5-[Cyclopropyl(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydro-4H-cycloocta[b]pyran-3-yl)methyl]-1,3-phenylene}dimethanesulfonamide

  • Molecular FormulaC23H30N2O7S2
  • Average mass510.624 Da
  • Monoisotopic mass510.149445 Da
  • ChemSpider ID8967137

More details:

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

Methanesulfonamide, N,N'-[5-[cyclopropyl(5,6,7,8,9,10-hexahydro-2-hydroxy-4-oxo-4H-cycloocta[b]pyran-3-yl)methyl]-1,3-phenylene]bis- [ACD/Index Name]
N,N'-{5-[Cyclopropyl(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydro-4H-cycloocta[b]pyran-3-yl)methyl]-1,3-phenylen}dimethansulfonamid [German] [ACD/IUPAC Name]
N,N'-{5-[Cyclopropyl(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydro-4H-cycloocta[b]pyran-3-yl)methyl]-1,3-phenylene}dimethanesulfonamide [ACD/IUPAC Name]
N,N'-{5-[Cyclopropyl(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydro-4H-cycloocta[b]pyran-3-yl)méthyl]-1,3-phénylène}diméthanesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 718.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.2±35.7 °C
Index of Refraction: 1.640
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 48.66
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

Click to predict properties on the Chemicalize site


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