ChemSpider 2D Image | (2S,5R,6R)-6-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide | C23H28N6O6S

(2S,5R,6R)-6-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

  • Molecular FormulaC23H28N6O6S
  • Average mass516.570 Da
  • Monoisotopic mass516.179077 Da
  • ChemSpider ID128983

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,5R,6R)-6-[(2-{[(4-Éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}-2-phénylacétyl)amino]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide [French] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxamid [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxamide, 6-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxamide, 6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2α,5α,6β(S*)))-
90686-52-5 [RN]
Piperacillin amide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 37.15
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 36.81
Polar Surface Area: 188 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 346.7±5.0 cm3

Click to predict properties on the Chemicalize site


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