ChemSpider 2D Image | S-(4-Bromobenzyl)-N-(4-carboxybutanoyl)cysteinylglycine | C17H21BrN2O6S

S-(4-Bromobenzyl)-N-(4-carboxybutanoyl)cysteinylglycine

  • Molecular FormulaC17H21BrN2O6S
  • Average mass461.327 Da
  • Monoisotopic mass460.030365 Da
  • ChemSpider ID23127912

More details:

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

Glycine, S-[(4-bromophenyl)methyl]-N-(4-carboxy-1-oxobutyl)cysteinyl- [ACD/Index Name]
S-(4-Brombenzyl)-N-(4-carboxybutanoyl)cysteinylglycin [German] [ACD/IUPAC Name]
S-(4-Bromobenzyl)-N-(4-carboxybutanoyl)cysteinylglycine [ACD/IUPAC Name]
S-(4-Bromobenzyl)-N-(4-carboxybutanoyl)cystéinylglycine [French] [ACD/IUPAC Name]
4-[2-(4-Bromo-benzylsulfanyl)-1-(carboxymethyl-carbamoyl)-ethylcarbamoyl]-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL282132/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 819.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.7±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

Click to predict properties on the Chemicalize site


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