ChemSpider 2D Image | N-(Carboxymethyl)cysteinylcysteinylvaline | C13H23N3O6S2

N-(Carboxymethyl)cysteinylcysteinylvaline

  • Molecular FormulaC13H23N3O6S2
  • Average mass381.468 Da
  • Monoisotopic mass381.102814 Da
  • ChemSpider ID28675195

More details:

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

N-(Carboxymethyl)cysteinylcysteinylvalin [German] [ACD/IUPAC Name]
N-(Carboxymethyl)cysteinylcysteinylvaline [ACD/IUPAC Name]
N-(Carboxyméthyl)cystéinylcystéinylvaline [French] [ACD/IUPAC Name]
Valine, N-(carboxymethyl)cysteinylcysteinyl- [ACD/Index Name]
2-(2-{2-[(CARBOXYMETHYL)AMINO]-3-SULFANYLPROPANAMIDO}-3-SULFANYLPROPANAMIDO)-3-METHYLBUTANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 718.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.4±6.0 kJ/mol
Flash Point: 388.4±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site


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