6-Aminopenicillanic acid

• CAS: 551-16-6
• Catalog Number: ACM551166
• Category: Inhibitors
• Molecular Weight: 216.26
• Molecular Formula: C₈H₁₂N₂O₃S
• Description: 6-Aminopenicillanic acid (6-APA) is an important precursor for the synthesis of lactam antibiotics. 6-Aminopenicillanic acid is the main product of Penicillin G (PenG) hydrolyzed by penicillin acylase (PA).
• Synonyms: (25,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID;(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]HEPTANE-2-CARBOXYLIC ACID;6-AMINO-2,2-DIMETHYL-5-OXOPERHYDROAZETO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID;6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID;6-APA;(+)-6-AMINOPENICILLANIC ACID;6-AMINOPENICILLANIC ACID;6-AMINO PENICILLINIC ACID
• Canonical SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2N)C(=O)O)(C)C
• Melting Point: 198-200°C (dec.)(lit.)
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Hazard Statements: Xn
• Safety Description: 22-36/37-45-37-24-36
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Supplemental Hazard Statements: H315-H317-H319-H334
• Symbol: GHS08

Custom Q&A

What is the molecular formula of 6-aminopenicillanic acid?

The molecular formula of 6-aminopenicillanic acid is C8H12N2O3S.

What is the molecular weight of 6-aminopenicillanic acid?

The molecular weight of 6-aminopenicillanic acid is 216.26 g/mol.

What are some synonyms of 6-aminopenicillanic acid?

Some synonyms of 6-aminopenicillanic acid include 6-Apa, Penicin, and Penin.

What is the IUPAC name of 6-aminopenicillanic acid?

The IUPAC name of 6-aminopenicillanic acid is (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

What is the Canonical SMILES representation of 6-aminopenicillanic acid?

The Canonical SMILES representation of 6-aminopenicillanic acid is CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C.

What is the InChIKey of 6-aminopenicillanic acid?

The InChIKey of 6-aminopenicillanic acid is NGHVIOIJCVXTGV-ALEPSDHESA-N.

What is the CAS number of 6-aminopenicillanic acid?

The CAS number of 6-aminopenicillanic acid is 551-16-6.

How many hydrogen bond donor counts does 6-aminopenicillanic acid have?

6-aminopenicillanic acid has 2 hydrogen bond donor counts.

What is the XLogP3 value of 6-aminopenicillanic acid?

The XLogP3 value of 6-aminopenicillanic acid is -2.1.

How many heavy atoms are present in the structure of 6-aminopenicillanic acid?

The structure of 6-aminopenicillanic acid contains 14 heavy atoms.