ChemSpider 2D Image | N-DESMETHYL-O-HYDROXY ROSIGLITAZONE | C17H17N3O4S

N-DESMETHYL-O-HYDROXY ROSIGLITAZONE

  • Molecular FormulaC17H17N3O4S
  • Average mass359.400 Da
  • Monoisotopic mass359.093964 Da
  • ChemSpider ID32702400

More details:

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

2,4-Thiazolidinedione, 5-[[4-[2-[(3-hydroxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]- [ACD/Index Name]
257892-32-3 [RN]
5-(4-{2-[(3-Hydroxy-2-pyridinyl)amino]ethoxy}benzyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
5-(4-{2-[(3-Hydroxy-2-pyridinyl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
5-(4-{2-[(3-Hydroxy-2-pyridinyl)amino]éthoxy}benzyl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
N-DESMETHYL-O-HYDROXY ROSIGLITAZONE
5-[(4-{2-[(3-hydroxypyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

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

4M9C7Y2OLR [DBID]
UNII:4M9C7Y2OLR [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 16.20
ACD/KOC (pH 5.5): 196.60
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 31.80
Polar Surface Area: 126 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 251.5±3.0 cm3

Click to predict properties on the Chemicalize site


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