ChemSpider 2D Image | N-[(1R,2S,3R,4R)-2,3-Dihydroxy-4-{[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]methyl}cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide | C18H22N6O5S

N-[(1R,2S,3R,4R)-2,3-Dihydroxy-4-{[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]methyl}cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

  • Molecular FormulaC18H22N6O5S
  • Average mass434.470 Da
  • Monoisotopic mass434.137238 Da
  • ChemSpider ID64892695

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Isoxazolesulfonamide, N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]methyl]cyclopentyl]-3,5-dimethyl- [ACD/Index Name]
N-[(1R,2S,3R,4R)-2,3-Dihydroxy-4-{[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]methyl}cyclopentyl]-3,5-dimethyl-1,2-oxazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-[(1R,2S,3R,4R)-2,3-Dihydroxy-4-{[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]methyl}cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide [ACD/IUPAC Name]
N-[(1R,2S,3R,4R)-2,3-Dihydroxy-4-{[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]méthyl}cyclopentyl]-3,5-diméthyl-1,2-oxazole-4-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 718.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.5±35.7 °C
Index of Refraction: 1.752
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.97
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.84
Polar Surface Area: 165 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 262.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement