ChemSpider 2D Image | ({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-2,2-dimethyl-4-oxo-1-(sulfonatooxy)-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)acetate | C12H13N5O9S2

({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-2,2-dimethyl-4-oxo-1-(sulfonatooxy)-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)acetate

  • Molecular FormulaC12H13N5O9S2
  • Average mass435.391 Da
  • Monoisotopic mass435.016571 Da
  • ChemSpider ID32698421

  • Charge - Charge

    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

({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-2,2-dimethyl-4-oxo-1-(sulfonatooxy)-3-azetidinyl]amino}-2-oxoethyliden]amino}oxy)acetat [German] [ACD/IUPAC Name]
({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-2,2-dimethyl-4-oxo-1-(sulfonatooxy)-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)acetate [ACD/IUPAC Name]
({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-2,2-diméthyl-4-oxo-1-(sulfonatooxy)-3-azétidinyl]amino}-2-oxoéthylidène]amino}oxy)acétate [French] [ACD/IUPAC Name]
Acetic acid, 2-[[[(1Z)-1-(2-amino-4-thiazolyl)-2-[[(3S)-2,2-dimethyl-4-oxo-1-(sulfooxy)-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-, ion(2-) [ACD/Index Name]
UNII-82H1LDS5D0

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability:
Surface Tension:
Molar Volume:

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