ChemSpider 2D Image | N-({[4-({[(2E)-3-Carboxy-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamoyl)glycylglycine | C16H18N4O9S

N-({[4-({[(2E)-3-Carboxy-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamoyl)glycylglycine

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID66488974

  • Double-bond stereo - Double-bond stereo

More details:

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

Glycine, N-[[[[4-[[[(2E)-3-carboxy-1-oxo-2-propen-1-yl]amino]methyl]phenyl]sulfonyl]amino]carbonyl]glycyl- [ACD/Index Name]
N-({[4-({[(2E)-3-Carboxy-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamoyl)glycylglycin [German] [ACD/IUPAC Name]
N-({[4-({[(2E)-3-Carboxy-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamoyl)glycylglycine [ACD/IUPAC Name]
N-({[4-({[(2E)-3-Carboxy-2-propenoyl]amino}méthyl)phényl]sulfonyl}carbamoyl)glycylglycine [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -6.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 289.1±3.0 cm3

Click to predict properties on the Chemicalize site


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