ChemSpider 2D Image | 4-Amino-5-[(2-amino-3-{[(Z)-1,2-dichlorovinyl]sulfanyl}propanoyl)oxy]-5-oxopentanoic acid (non-preferred name) | C10H14Cl2N2O5S

4-Amino-5-[(2-amino-3-{[(Z)-1,2-dichlorovinyl]sulfanyl}propanoyl)oxy]-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC10H14Cl2N2O5S
  • Average mass345.200 Da
  • Monoisotopic mass344.000061 Da
  • ChemSpider ID120330241

More details:

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

4-Amino-5-[(2-amino-3-{[(Z)-1,2-dichlorovinyl]sulfanyl}propanoyl)oxy]-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
4-Amino-5-[(2-amino-3-{[(Z)-1,2-dichlorvinyl]sulfanyl}propanoyl)oxy]-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 4-amino-5-[(2-amino-3-{[(Z)-1,2-dichlorovinyl]sulfanyl}propanoyl)oxy]-5-oxopentanoïque (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 503.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 258.4±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

Click to predict properties on the Chemicalize site


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