ChemSpider 2D Image | 2-{[(E)-{1-(2-Amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]ethylidene}amino]oxy}-2-methylpropanoic acid | C12H15N5O8S2

2-{[(E)-{1-(2-Amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]ethylidene}amino]oxy}-2-methylpropanoic acid

  • Molecular FormulaC12H15N5O8S2
  • Average mass421.406 Da
  • Monoisotopic mass421.036194 Da
  • ChemSpider ID123247161

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(E)-{1-(2-Amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]ethyliden}amino]oxy}-2-methylpropansäure [German] [ACD/IUPAC Name]
2-{[(E)-{1-(2-Amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]ethylidene}amino]oxy}-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-{[(E)-{1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfo-3-azétidinyl)amino]éthylidène}amino]oxy}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[(1E)-1-(2-amino-4-thiazolyl)-2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]ethylidene]amino]oxy]-2-methyl- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -6.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 91.9±7.0 dyne/cm
Molar Volume: 221.8±7.0 cm3

Click to predict properties on the Chemicalize site


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