ChemSpider 2D Image | 2-({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-oxo-2-{[(3S)-2-oxo-1-(sulfooxy)-3-azetidinyl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid | C12H15N5O9S2

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

  • Molecular FormulaC12H15N5O9S2
  • Average mass437.406 Da
  • Monoisotopic mass437.031128 Da
  • ChemSpider ID25056485

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

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-{[(3S)-2-oxo-1-(sulfooxy)-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-{[(3S)-2-oxo-1-(sulfooxy)-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-{[(3S)-2-oxo-1-(sulfooxy)-3-azétidinyl]amino}éthylidène]amino}oxy)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[(1E)-1-(2-amino-4-thiazolyl)-2-oxo-2-[[(3S)-2-oxo-1-(sulfooxy)-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: 1.745
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -6.34
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: 247 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 91.5±7.0 dyne/cm
Molar Volume: 228.2±7.0 cm3

Click to predict properties on the Chemicalize site


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