(2S,5R,6R)-6-{[(2S)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 26889-93-0]

Identification

• Name: (2S,5R,6R)-6-{[(2S)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-6-[[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; Amoxicillin; L-Amoxicillin
• Molecular Formula: C₁₆H₁₉N₃O₅S
• Molecular Weight: 365.40
• CAS Registry Number: 26889-93-0
• SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=C(C=C3)O)N)C(=O)O)C
• InChI: 1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10+,11-,14+/m0/s1
• InChIKey: LSQZJLSUYDQPKJ-BBGACYKPSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 743.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 403.3±32.9°C (Cal.)
• Refractive index: 1.702 (Cal.)