ChemSpider 2D Image | 7-{[(4-Hydroxyphenyl){[(6-methyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]amino}acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C25H23N8O7S2

7-{[(4-Hydroxyphenyl){[(6-methyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]amino}acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC25H23N8O7S2
  • Average mass611.630 Da
  • Monoisotopic mass611.113647 Da
  • ChemSpider ID21234414
  • Charge - Charge


More details:






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

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[[(1,4-dihydro-6-methyl-4-oxo-3-pyridinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-ox o-, ion(1-) [ACD/Index Name]
7-{[(4-Hydroxyphenyl){[(6-methyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]amino}acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
7-{[(4-Hydroxyphenyl){[(6-methyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]amino}acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
7-{[2-(4-Hydroxyphényl)-2-{[(6-méthyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]amino}acétyl]amino}-3-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 982.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.0±3.0 kJ/mol
Flash Point: 548.0±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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