ChemSpider 2D Image | N-[{[3,4-Bis(ethoxycarbonyl)-2-thienyl]amino}(oxo)acetyl]threonine | C16H20N2O9S

N-[{[3,4-Bis(ethoxycarbonyl)-2-thienyl]amino}(oxo)acetyl]threonine

  • Molecular FormulaC16H20N2O9S
  • Average mass416.403 Da
  • Monoisotopic mass416.088959 Da
  • ChemSpider ID112676267

More details:

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

3,4-Thiophenedicarboxylic acid, 2-[[2-[(1-carboxy-2-hydroxypropyl)amino]-1,2-dioxoethyl]amino]-, 3,4-diethyl ester [ACD/Index Name]
N-(2-{[3,4-Bis(éthoxycarbonyl)-2-thiényl]amino}-2-oxoacétyl)thréonine [French] [ACD/IUPAC Name]
N-[{[3,4-Bis(ethoxycarbonyl)-2-thienyl]amino}(oxo)acetyl]threonin [German] [ACD/IUPAC Name]
N-[{[3,4-Bis(ethoxycarbonyl)-2-thienyl]amino}(oxo)acetyl]threonine [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 285.6±3.0 cm3

Click to predict properties on the Chemicalize site


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