ChemSpider 2D Image | Piperacillin-d5 | C23H22D5N5O7S

Piperacillin-d5

  • Molecular FormulaC23H22D5N5O7S
  • Average mass522.586 Da
  • Monoisotopic mass522.194519 Da
  • ChemSpider ID58783096

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,5R,6R)-6-{[(2R)-2-({[4-(2H5)Ethyl-2,3-dioxo-1-piperazinyl]carbonyl}amino)-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[(2R)-2-({[4-(2H5)Ethyl-2,3-dioxo-1-piperazinyl]carbonyl}amino)-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-[[[4-(ethyl-d5)-2,3-dioxo-1-piperazinyl]carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R)-6-{[(2R)-2-({[4-(2H5)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-carboxylique [French] [ACD/IUPAC Name]
Piperacillin-d5
(2S,5R,6R)-6-((R)-2-(4-(ethyl-d5)-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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: 1.678
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 340.5±5.0 cm3

Click to predict properties on the Chemicalize site


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