(5R,6S)-3-(4-Carbamoylphenoxy)-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 105275-74-9]

Identification

• Name: (5R,6S)-3-(4-Carbamoylphenoxy)-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6S)-3-(4-Carbamoylphenoxy)-6-(1-Hydroxyethyl)-7-Keto-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6S)-3-(4-Aminocarbonylphenoxy)-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 3-(4-Carbamoylphenoxy)-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo(3,2,0)Hept-2-Ene-2-Carboxylate
• Molecular Formula: C₁₅H₁₄N₂O₆S
• Molecular Weight: 350.35
• CAS Registry Number: 105275-74-9
• SMILES: [C@@H]13N(C(=C(S1)OC2=CC=C(C=C2)C(=O)N)C(=O)O)C([C@@H]3[C@@H](C)O)=O
• InChI: 1S/C15H14N2O6S/c1-6(18)9-12(20)17-10(14(21)22)15(24-13(9)17)23-8-4-2-7(3-5-8)11(16)19/h2-6,9,13,18H,1H3,(H2,16,19)(H,21,22)/t6-,9+,13-/m1/s1
• InChIKey: MVTIDDWEBUVRRW-XIDCRBKBSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Boiling point: 635.082°C at 760 mmHg (Cal.)
• Flash point: 337.885°C (Cal.)