ChemSpider 2D Image | Piperacilloic acid | C23H29N5O8S

Piperacilloic acid

  • Molecular FormulaC23H29N5O8S
  • Average mass535.570 Da
  • Monoisotopic mass535.173706 Da
  • ChemSpider ID31047110

More details:

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

2-(Carboxy{[{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}methyl)-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
2-(Carboxy{[{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}methyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
2-Thiazolidineacetic acid, 4-carboxy-α-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-phenylacetyl]amino]-5,5-dimethyl- [ACD/Index Name]
64817-22-7 [RN]
Acide 2-{carboxy[(2-{[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}-2-phénylacétyl)amino]méthyl}-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
Piperacilloic acid
(4S)-2t-{(R)-carboxy-[(R)-2-(4-ethyl-2,3-dioxo-piperazine-1-carbonylamino)-2-phenyl-acetylamino]-methyl}-5,5-dimethyl-thiazolidine-4r-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

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