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Ampicilloic Acid (>90%)

CAT: 0572-TRC-A634320-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A634320-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32746-94-4
Synonyms
(2R)-(2R)-2-Phenylglycyl-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycine; α-(2-Amino-2-phenylacetamido)-4-carboxy-5,5-dimethyl-2-thiazolidineacetic Acid; [2R-[2α[R*(R*)],4β]]-α-[(Aminophenylacetyl)amino]-4-carboxy-5,5-dimethyl-2-thiazolidineacetic Acid; α-Aminobenzylpenicilloic Acid; Ampicillin EP Impurity D;
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Smiles
CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=CC=C2)N)C(=O)O)C
Molecular Formula
C16H21N3O5S
Molecular Weight
367.42
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ampicilloic acid
CAS Number32746-94-4
PubChem CID6914605
IUPAC Name(2R,4S)-2-[(R)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC16H21N3O5S
Molecular Weight367.4
XLogP-4.2
Topological Polar Surface Area167
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity536
SMILES
CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=CC=C2)N)C(=O)O)C
InChI
InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1
InChIKey
KDAWOPKDXRJNHV-MPPDQPJWSA-N
Chemical Structure
2D Structure
2D structure of Ampicilloic acid
CAS: 32746-94-4
CID: 6914605
Formula: C16H21N3O5S
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP3-4.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass367.12019195
Monoisotopic Mass367.12019195
Topological Polar Surface Area167 Ų
Heavy Atom Count25
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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