ChemSpider 2D Image | (2R,2'Z,4S,4'R)-3,4-Dimethyl-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2,4'-bi-1,3-thiazolidine-4-carboxylic acid | C15H18N2O3S2

(2R,2'Z,4S,4'R)-3,4-Dimethyl-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2,4'-bi-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC15H18N2O3S2
  • Average mass338.445 Da
  • Monoisotopic mass338.075897 Da
  • ChemSpider ID59701183

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,2'Z,4S,4'R)-3,4-Dimethyl-2'-(6-oxo-2,4-cyclohexadien-1-yliden)-2,4'-bi-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,2'Z,4S,4'R)-3,4-Dimethyl-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2,4'-bi-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
[2,4'-Bithiazolidine]-4-carboxylic acid, 3,4-dimethyl-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-, (2R,2'Z,4S,4'R)- [ACD/Index Name]
Acide (2R,2'Z,4S,4'R)-3,4-diméthyl-2'-(6-oxo-2,4-cyclohexadién-1-ylidène)-2,4'-bi-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
Thiazostatin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement