ChemSpider 2D Image | N-(4-{(Z)-[3-(Carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)-D-glutamic acid | C18H16N2O8S2

N-(4-{(Z)-[3-(Carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)-D-glutamic acid

  • Molecular FormulaC18H16N2O8S2
  • Average mass452.458 Da
  • Monoisotopic mass452.034790 Da
  • ChemSpider ID26620686

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{(Z)-[3-(carboxyméthyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}benzoyl)-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[(Z)-[3-(carboxymethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]benzoyl]- [ACD/Index Name]
N-(4-{(Z)-[3-(Carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}benzoyl)-D-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{(Z)-[3-(Carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoyl)-D-glutamic acid [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 104.5±5.0 dyne/cm
Molar Volume: 270.7±5.0 cm3

Click to predict properties on the Chemicalize site


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