Penicillin
[CAS# 525-94-0]

Identification

• Name: Penicillin
• Synonyms: (2S,5R,6R)-6-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(5R)-5-Amino-6-Hydroxy-1,6-Dioxohexyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(5R)-5-Amino-6-Hydroxy-6-Keto-Hexanoyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₁N₃O₆S
• Molecular Weight: 359.40
• CAS Registry Number: 525-94-0
• SMILES: [C@@H]12N([C@H](C(C)(C)S1)C(O)=O)C(=O)[C@H]2NC(CCC[C@H](C(O)=O)N)=O
• InChI: 1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1
• InChIKey: MIFYHUACUWQUKT-GPUHXXMPSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 739.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 400.9±32.9°C (Cal.)