(5R,6S)-3-(2-Aminoethylsulfanyl)-6-(Hydroxymethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 77550-86-8]

Identification

• Name: (5R,6S)-3-(2-Aminoethylsulfanyl)-6-(Hydroxymethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6S)-3-(2-Aminoethylthio)-6-(Hydroxymethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6S)-3-(2-Aminoethylthio)-7-Keto-6-Methylol-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 1-Azabicyclo(3.2.0)Hept-2-Ene-2-Carboxylic Acid, 3-((2-Aminoethyl)Thio)-6-(Hydroxymethyl)-7-Oxo-, (5R-Cis)-
• Molecular Formula: C₁₀H₁₄N₂O₄S
• Molecular Weight: 258.29
• CAS Registry Number: 77550-86-8
• SMILES: [C@H]12N(C(=O)[C@@H]1CO)C(=C(SCCN)C2)C(=O)O
• InChI: 1S/C10H14N2O4S/c11-1-2-17-7-3-6-5(4-13)9(14)12(6)8(7)10(15)16/h5-6,13H,1-4,11H2,(H,15,16)/t5-,6-/m1/s1
• InChIKey: CORBMZCTOZNVHZ-PHDIDXHHSA-N

Properties

• Density: 1.572g/cm³ (Cal.)
• Boiling point: 520.436°C at 760 mmHg (Cal.)
• Flash point: 268.55°C (Cal.)