ChemSpider 2D Image | Piperacillin | C23H27N5O7S

Piperacillin

  • Molecular FormulaC23H27N5O7S
  • Average mass517.555 Da
  • Monoisotopic mass517.163147 Da
  • ChemSpider ID39798
  • defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

(2S,5R,6R)-6-[(R)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
(2S,5R,6R)-6-{(E)-[(2R)-2-{(E)-[(4-Ethyl-2,3-dioxo-1-piperazinyl)(hydroxy)methylen]amino}-1-hydroxy-2-phenylethyliden]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-{(E)-[(2R)-2-{(E)-[(4-Ethyl-2,3-dioxo-1-piperazinyl)(hydroxy)methylene]amino}-1-hydroxy-2-phenylethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
(2S,5R,6R)-6-{[(2R)-2-{[(4-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-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]
(2S,5R,6R)-6-{[(2R)-2-{[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
262-811-8 [EINECS]
4296
4-Ethyl-2,3-dioxopiperazine Carbonyl Ampicillin
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1E,2R)-2-[[(1E)-(4-ethyl-2,3-dioxo-1-piperazinyl)hydroxymethylene]amino]-1-hydroxy-2-phenylethylidene]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
More...

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

AIDS007751 [DBID]
AIDS-007751 [DBID]
C14034 [DBID]
CCRIS 7362 [DBID]
CCRIS 937 [DBID]
Prestwick0_000755 [DBID]
Prestwick1_000755 [DBID]
SPBio_002709 [DBID]
X00B0D5O0E [DBID]

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

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





Feedback Form