(4R,5R,6R)-3-(5-Chloro-2-Oxo-1,3-Benzoxazol-3-Yl)-6-(1-Hydroxyethyl)-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 125412-71-7]

Identification

• Name: (4R,5R,6R)-3-(5-Chloro-2-Oxo-1,3-Benzoxazol-3-Yl)-6-(1-Hydroxyethyl)-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (4R,5R,6R)-3-(5-Chloro-2-Keto-1,3-Benzoxazol-3-Yl)-6-(1-Hydroxyethyl)-7-Keto-4-Methyl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 1-Azabicyclo(3.2.0)Hept-2-Ene-2-Carboxylic Acid, 3-(5-Chloro-2-Oxo-3(2H)-Benzoxazolyl)-6-(1-Hydroxyethyl)-4-Methyl-7-Oxo-, (4R-(4Alpha,5Beta,6Beta(R*)))-; 1-Hcobcc
• Molecular Formula: C₁₇H₁₅ClN₂O₆
• Molecular Weight: 378.77
• CAS Registry Number: 125412-71-7
• SMILES: [C@H]14N(C(=O)[C@H]1[C@H](O)C)C(=C(N3C2=CC(=CC=C2OC3=O)Cl)[C@@H]4C)C(=O)O
• InChI: 1S/C17H15ClN2O6/c1-6-12-11(7(2)21)15(22)20(12)14(16(23)24)13(6)19-9-5-8(18)3-4-10(9)26-17(19)25/h3-7,11-12,21H,1-2H3,(H,23,24)/t6-,7-,11+,12-/m1/s1
• InChIKey: OVMOMRDXSDRZKI-QBDJTPIZSA-N

Properties

• Density: 1.686g/cm³ (Cal.)
• Boiling point: 602.477°C at 760 mmHg (Cal.)
• Flash point: 318.167°C (Cal.)