ChemSpider 2D Image | N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | C27H29NO5S

N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE

  • Molecular FormulaC27H29NO5S
  • Average mass479.588 Da
  • Monoisotopic mass479.176636 Da
  • ChemSpider ID16744062
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzenesulfonamide, N-[3-[(S)-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl]phenyl]- [ACD/Index Name]
N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
N-{3-[(S)-Cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide [ACD/IUPAC Name]
N-{3-[(S)-Cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)méthyl]phényl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-{3-[(S)-Cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzolsulfonamid [German] [ACD/IUPAC Name]
IH4
N-(R-CARBOXY-ETHYL)-α-(S)-(2-PHENYLETHYL)
N-{3-[(S)-cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}benzenesulfonamide
N-{3-[(S)-cyclopropyl({4-hydroxy-2-oxo-5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}benzenesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 675.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.2±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 321.34
ACD/KOC (pH 5.5): 1097.26
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 4.94
ACD/KOC (pH 7.4): 16.87
Polar Surface Area: 101 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 351.6±5.0 cm3

Click to predict properties on the Chemicalize site






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