ChemSpider 2D Image | 2-(1-{[(2'-Carboxy-2-biphenylyl)carbonyl]amino}-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C22H22N2O6S

2-(1-{[(2'-Carboxy-2-biphenylyl)carbonyl]amino}-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC22H22N2O6S
  • Average mass442.485 Da
  • Monoisotopic mass442.119843 Da
  • ChemSpider ID26327383

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2r,4s)-2-[(1r)-1-{[(2'-Carboxybiphenyl-2-Yl)carbonyl]amino}-2-Oxoethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid
2-(1-{[(2'-Carboxy-2-biphenylyl)carbonyl]amino}-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
2-(1-{[(2'-Carboxy-2-biphenylyl)carbonyl]amino}-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[1-[[(2'-carboxy[1,1'-biphenyl]-2-yl)carbonyl]amino]-2-oxoethyl]-5,5-dimethyl- [ACD/Index Name]
Acide 2-(1-{[(2'-carboxy-2-biphénylyl)carbonyl]amino}-2-oxoéthyl)-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 330.4±3.0 cm3

Click to predict properties on the Chemicalize site


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