[6R-[6alpha,7beta(R*)]]-3-(Acetoxymethyl)-7-[(5-Amino-5-Carboxypentanoyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid, Potassium Salt
[CAS# 57847-70-8]

Identification

• Name: [6R-[6alpha,7beta(R*)]]-3-(Acetoxymethyl)-7-[(5-Amino-5-Carboxypentanoyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid, Potassium Salt
• Synonyms: Dipotassium (6R,7R)-3-(Acetoxymethyl)-7-[(5-Amino-6-Oxido-6-Oxo-Hexanoyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Dipotassium (6R,7R)-3-(Acetoxymethyl)-7-[(5-Amino-6-Oxido-1,6-Dioxohexyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Dipotassium (6R,7R)-3-(Acetoxymethyl)-7-[(5-Amino-6-Keto-6-Oxido-Hexanoyl)Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₆H₁₉K₂N₃O₈S
• Molecular Weight: 491.60
• CAS Registry Number: 57847-70-8
• EINECS: 260-987-0
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CCCC(N)C([O-])=O)C([O-])=O)COC(=O)C.[K+].[K+]
• InChI: 1S/C16H21N3O8S.2K/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);;/q;2*+1/p-2/t9?,11-,14-;;/m1../s1
• InChIKey: CGQRXNWPWKDRLO-DVKQNJROSA-L

Properties

• Boiling point: 814.7°C at 760 mmHg (Cal.)
• Flash point: 446.5°C (Cal.)