ChemSpider 2D Image | Sulfamethoxazole N1-glucuronide | C16H19N3O9S

Sulfamethoxazole N1-glucuronide

  • Molecular FormulaC16H19N3O9S
  • Average mass429.402 Da
  • Monoisotopic mass429.084198 Da
  • ChemSpider ID62882210

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

14365-52-7 [RN]
N-[(4-Aminophenyl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamin [German] [ACD/IUPAC Name]
N-[(4-Aminophenyl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamine [ACD/IUPAC Name]
N-[(4-Aminophényl)sulfonyl]-N-(5-méthyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamine [French] [ACD/IUPAC Name]
Sulfamethoxazole N1-glucuronide
β-D-Glucopyranuronosylamine, N-[(4-aminophenyl)sulfonyl]-N-(5-methyl-3-isoxazolyl)- [ACD/Index 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: 798.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.5±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 104.8±3.0 dyne/cm
Molar Volume: 248.4±3.0 cm3

Click to predict properties on the Chemicalize site


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