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Search term: GYMUSJRQCDBZCQ-VWLOTQADSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-5-(3-{3-[4-(Cyclohexyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione | C27H33NO5S

(5S)-5-(3-{3-[4-(Cyclohexyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC27H33NO5S
  • Average mass483.620 Da
  • Monoisotopic mass483.207947 Da
  • ChemSpider ID26398759

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-(3-{3-[4-(Cyclohexyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(Cyclohexyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(Cyclohexyloxy)-2-propylphénoxy]propoxy}phényl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-[4-(cyclohexyloxy)-2-propylphenoxy]propoxy]phenyl]-, (5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 4888.69
ACD/KOC (pH 5.5): 14021.26
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 296.91
ACD/KOC (pH 7.4): 851.58
Polar Surface Area: 99 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

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