ChemSpider 2D Image | (5S)-5-{3-[3-(4-Phenoxy-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidine-2,4-dione | C27H27NO5S

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

  • Molecular FormulaC27H27NO5S
  • Average mass477.572 Da
  • Monoisotopic mass477.160980 Da
  • ChemSpider ID26333953

  • 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-Phenoxy-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5S)-5-{3-[3-(4-Phenoxy-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5S)-5-{3-[3-(4-Phénoxy-2-propylphénoxy)propoxy]phényl}-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-(4-phenoxy-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: 649.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7544.89
ACD/KOC (pH 5.5): 19128.19
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 458.15
ACD/KOC (pH 7.4): 1161.53
Polar Surface Area: 99 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 386.7±3.0 cm3

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