4-Hydroxypenicillin V
[CAS# 20880-67-5]

Identification

• Name: 4-Hydroxypenicillin V
• Synonyms: (2S,5R,6R)-6-[[2-(4-Hydroxyphenoxy)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(4-Hydroxyphenoxy)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[2-(4-Hydroxyphenoxy)Ethanoylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈N₂O₆S
• Molecular Weight: 366.39
• CAS Registry Number: 20880-67-5
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)NC(=O)COC3=CC=C(C=C3)O)C(=O)O
• InChI: 1S/C16H18N2O6S/c1-16(2)12(15(22)23)18-13(21)11(14(18)25-16)17-10(20)7-24-9-5-3-8(19)4-6-9/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1
• InChIKey: DXLWRYXQESUXNE-MBNYWOFBSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 754.456°C at 760 mmHg (Cal.)
• Flash point: 410.081°C (Cal.)