ChemSpider 2D Image | 7-{[(2-Amino-1,3-thiazol-4-yl){[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)carbonyl]amino}acetyl]amino}-3-({[1-(2-hydroxyethyl)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylate | C26H25N7O9S3

7-{[(2-Amino-1,3-thiazol-4-yl){[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)carbonyl]amino}acetyl]amino}-3-({[1-(2-hydroxyethyl)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylate

  • Molecular FormulaC26H25N7O9S3
  • Average mass675.713 Da
  • Monoisotopic mass675.087585 Da
  • ChemSpider ID28576236

More details:

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

7-{[(2-Amino-1,3-thiazol-4-yl){[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)carbonyl]amino}acetyl]amino}-3-({[1-(2-hydroxyethyl)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- en-2-carboxylat [German] [ACD/IUPAC Name]
7-{[(2-Amino-1,3-thiazol-4-yl){[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)carbonyl]amino}acetyl]amino}-3-({[1-(2-hydroxyethyl)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylate [ACD/IUPAC Name]
7-{[2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)carbonyl]amino}acétyl]amino}-3-({[1-(2-hydroxyéthyl)-4-pyridiniumyl]sulfanyl}méthyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]o ct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
Pyridinium, 4-[[[7-[[2-(2-amino-4-thiazolyl)-2-[[(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl]amino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-(2-hyd roxyethyl)-, inner salt [ACD/Index Name]
(6S,7S)-7-{[(2-AMINO-1,3-THIAZOL-4-YL){[(1,5-DIHYDROXY-4-OXO-1,4-DIHYDROPYRIDIN-2-YL)CARBONYL]AMINO}ACETYL]AMINO}-3-({[1-(2-HYDROXYETHYL)PYRIDINIUM-4-YL]SULFANYL}METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
118377-57-4 [RN]

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: 16
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.86
ACD/LogD (pH 5.5): -5.37
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: 321 Å2
Polarizability:
Surface Tension:
Molar Volume:

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