ChemSpider 2D Image | 2-({(E)-[2-{[(3S)-1-({[3-(5-Hydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-y l)-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid | C21H22N10O11S2

2-({(E)-[2-{[(3S)-1-({[3-(5-Hydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-y l)-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid

  • Molecular FormulaC21H22N10O11S2
  • Average mass654.590 Da
  • Monoisotopic mass654.091064 Da
  • ChemSpider ID88298716

  • 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)-[2-{[(3S)-1-({[3-(5-Hydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-y l)-2-oxoethyliden]amino}oxy)-2-methylpropansäure [German] [ACD/IUPAC Name]
2-({(E)-[2-{[(3S)-1-({[3-(5-Hydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-y l)-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-({(E)-[2-{[(3S)-1-({[3-(5-hydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-4-méthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azétidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiaz ol-4-yl)-2-oxoéthylidène]amino}oxy)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[(1E)-2-[[(3S)-1-[[[[3-(1,4-dihydro-5-hydroxy-4-oxo-2-pyridinyl)-4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl]sulfonyl]amino]carbonyl]-2-oxo-3-azetidinyl]amino]-1-(2,3-dihydro- 2-imino-4-thiazolyl)-2-oxoethylidene]amino]oxy]-2-methyl- [ACD/Index Name]
123444-35-9 [RN]

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

U 78608 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.828
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 21
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.73
ACD/LogD (pH 5.5): -7.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 326 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 100.4±7.0 dyne/cm
Molar Volume: 335.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement