(5R,6S)-6-(1-Hydroxyethyl)-7-Oxo-3-Pyridin-4-Ylsulfanyl-1-Azabicyclo[3 .2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 81520-91-4]

Identification

• Name: (5R,6S)-6-(1-Hydroxyethyl)-7-Oxo-3-Pyridin-4-Ylsulfanyl-1-Azabicyclo[3 .2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6S)-6-(1-Hydroxyethyl)-7-Oxo-3-(4-Pyridylsulfanyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6S)-6-(1-Hydroxyethyl)-7-Oxo-3-(4-Pyridylthio)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6S)-6-(1-Hydroxyethyl)-7-Keto-3-(4-Pyridylthio)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₄N₂O₄S
• Molecular Weight: 306.34
• CAS Registry Number: 81520-91-4
• SMILES: [C@@H]13N(C(=C(C1)SC2=CC=NC=C2)C(=O)O)C(=O)[C@@H]3[C@@H](C)O
• InChI: 1S/C14H14N2O4S/c1-7(17)11-9-6-10(21-8-2-4-15-5-3-8)12(14(19)20)16(9)13(11)18/h2-5,7,9,11,17H,6H2,1H3,(H,19,20)/t7-,9-,11-/m1/s1
• InChIKey: BHPPSVRPJRLQNG-BCMRRPTOSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 557.626°C at 760 mmHg (Cal.)
• Flash point: 291.042°C (Cal.)