ChemSpider 2D Image | N-(2-Carboxy-6-{[(3,4-dihydroxyphenyl){[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)imidoformate | C24H27N6O10S

N-(2-Carboxy-6-{[(3,4-dihydroxyphenyl){[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)imidoformate

  • Molecular FormulaC24H27N6O10S
  • Average mass591.571 Da
  • Monoisotopic mass591.151489 Da
  • ChemSpider ID95637295

  • Charge - Charge

More details:

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

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-(3,4-dihydroxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-6-[[(1E)-hydroxymethylene]amino]-3,3-dimethyl-7-oxo-, ion(1-) [ACD/Index Name]
N-(2-Carboxy-6-{[(3,4-dihydroxyphenyl){[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)imidoformate [ACD/IUPAC Name]
N-(2-Carboxy-6-{[(3,4-dihydroxyphenyl){[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)imidoformiat [German] [ACD/IUPAC Name]
N-(2-Carboxy-6-{[2-(3,4-dihydroxyphényl)-2-{[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}acétyl]amino}-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)imidoformiate [French] [ACD/IUPAC Name]

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: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability:
Surface Tension:
Molar Volume:

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