ChemSpider 2D Image | 5-Amino-2-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl beta-D-glucopyranosiduronic acid | C21H22N4O9S

5-Amino-2-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC21H22N4O9S
  • Average mass506.486 Da
  • Monoisotopic mass506.110748 Da
  • ChemSpider ID184722

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Amino-2-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-Amino-2-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5-amino-2-[(1-phényl-1H-pyrazol-5-yl)sulfamoyl]phényle [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-amino-2-(β-D-glucopyranuronosyloxy)-N-(1-phenyl-1H-pyrazol-5-yl)- [ACD/Index Name]
37393-47-8 [RN]
SN2-Gluc
Sulfaphenazole-N(2)-glucuronide
Sulfaphenazole-N2-glucuronide
β-D-Glucopyranosiduronic acid, 5-amino-2-(((1-phenyl-1H-pyrazol-5-yl)amino)sulfonyl)phenyl-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 852.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.4±37.1 °C
Index of Refraction: 1.738
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 79.6±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

Click to predict properties on the Chemicalize site


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