ChemSpider 2D Image | 3-{[2-(Ethanimidoylamino)ethyl]sulfonyl}-D-alanine | C7H15N3O4S

3-{[2-(Ethanimidoylamino)ethyl]sulfonyl}-D-alanine

  • Molecular FormulaC7H15N3O4S
  • Average mass237.277 Da
  • Monoisotopic mass237.078323 Da
  • ChemSpider ID23227152

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[2-(Ethanimidoylamino)ethyl]sulfonyl}-D-alanin [German] [ACD/IUPAC Name]
3-{[2-(Ethanimidoylamino)ethyl]sulfonyl}-D-alanine [ACD/IUPAC Name]
3-{[2-(Ethanimidoylamino)éthyl]sulfonyl}-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-[[2-[(1-iminoethyl)amino]ethyl]sulfonyl]- [ACD/Index Name]
(S)-3-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-propionic acid
CHEMBL154895

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 249.2±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 53.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -4.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 157.6±7.0 cm3

Click to predict properties on the Chemicalize site


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