ChemSpider 2D Image | 2-({(E)-[1-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)-2-{[(2R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid | C13H17N5O8S2

2-({(E)-[1-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)-2-{[(2R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid

  • Molecular FormulaC13H17N5O8S2
  • Average mass435.433 Da
  • Monoisotopic mass435.051849 Da
  • ChemSpider ID68024255

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-({(E)-[1-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)-2-{[(2R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethyliden]amino}oxy)-2-methylpropansäure [German] [ACD/IUPAC Name]
2-({(E)-[1-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)-2-{[(2R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-({(E)-[1-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-{[(2R)-2-méthyl-4-oxo-1-sulfo-3-azétidinyl]amino}-2-oxoéthylidène]amino}oxy)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[(1E)-1-(2,3-dihydro-2-imino-4-thiazolyl)-2-[[(2R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-2-methyl- [ACD/Index Name]
(E)-Aztreonam

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -5.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 84.2±7.0 dyne/cm
Molar Volume: 236.9±7.0 cm3

Click to predict properties on the Chemicalize site


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