ChemSpider 2D Image | (2S,5R)-(+/-)-troglitazone | C24H27NO5S

(2S,5R)-(±)-troglitazone

  • Molecular FormulaC24H27NO5S
  • Average mass441.540 Da
  • Monoisotopic mass441.160980 Da
  • ChemSpider ID21183176

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-(±)-troglitazone
(5R)-5-(4-{[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5R)-5-(4-{[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5R)-5-(4-{[(2S)-6-Hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl]méthoxy}benzyl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[[4-[[(2S)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl]methoxy]phenyl]methyl]-, (5R)- [ACD/Index Name]
640275-16-7 [RN]
97322-87-7 [RN]
Troglitazone [BAN] [INN] [JAN] [USAN] [Wiki]
TROGLITAZONE, (2S,5R)-(±)-
UNII-I66ZZ0ZN0E

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

BFQ06OHW4R [DBID]
UNII:BFQ06OHW4R [DBID]
UNII-BFQ06OHW4R [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.4±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 12.78
ACD/KOC (pH 5.5): 64.21
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 114 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 330.5±7.0 cm3

Click to predict properties on the Chemicalize site


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