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Monodecarboxy Piperacilloic Acid

CAT: 0024-sc-484963Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-484963Size:25 mg
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CAS Number
64817-23-8

Chemical Information

Monodecarboxy Piperacilloic Acid
CAS Number64817-23-8
PubChem CID129011628
IUPAC Name(2R,4S)-2-[[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC22H29N5O6S
Molecular Weight491.6
XLogP-0.9
Topological Polar Surface Area173
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity831
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)NC[C@@H]3N[C@H](C(S3)(C)C)C(=O)O
InChI
InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(19(30)18(26)29)21(33)25-15(13-8-6-5-7-9-13)17(28)23-12-14-24-16(20(31)32)22(2,3)34-14/h5-9,14-16,24H,4,10-12H2,1-3H3,(H,23,28)(H,25,33)(H,31,32)/t14-,15-,16+/m1/s1
InChIKey
PERAIFYAYPAERV-OAGGEKHMSA-N
Chemical Structure
2D Structure
2D structure of Monodecarboxy Piperacilloic Acid
CAS: 64817-23-8
CID: 129011628
Formula: C22H29N5O6S
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass491.18385484
Monoisotopic Mass491.18385484
Topological Polar Surface Area173 Ų
Heavy Atom Count34
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-M526700-50MGMonodecarboxy Piperacilloic Acid (Mixture of Diastereomers)
456533-01Monodecarboxy (DL-Phenylglycyl) Piperacilloic Acid
FP27061-01Piperacilloic acid
TRC-M525800-25MGMonodecarboxy Ticarcilloic Acid
TRC-P479970-25MGPiperacilloic Acid (>80%)
283673-01Mono decarboxy piperacilloic Acid
287676-01Piperacilloic Acid Pyruvic Urea
447547-01(DL-Phenylglycyl) -piperacilloic Acid
TRC-P480000-2.5MGPiperacilloic Acid-Piperacillin Dimer Disodium Salt (~85%)
TRC-P327380-25MGDL-Phenylglycyl 2-epi-Thoazolino Piperacilloic Acid

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