Desacetyl Glutaryl 7-Aminocephalosporanic Acid
[CAS# 55779-10-7]

Identification

• Name: Desacetyl Glutaryl 7-Aminocephalosporanic Acid
• Synonyms: (6R,7R)-3-(Hydroxymethyl)-7-[(5-Hydroxy-5-Oxo-Pentanoyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(5-Hydroxy-1,5-Dioxopentyl)Amino]-3-(Hydroxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(5-Hydroxy-5-Keto-Pentanoyl)Amino]-8-Keto-3-Methylol-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₆N₂O₇S
• Molecular Weight: 344.34
• CAS Registry Number: 55779-10-7
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CCCC(=O)O)C(=O)O)CO
• InChI: 1S/C13H16N2O7S/c16-4-6-5-23-12-9(11(20)15(12)10(6)13(21)22)14-7(17)2-1-3-8(18)19/h9,12,16H,1-5H2,(H,14,17)(H,18,19)(H,21,22)/t9-,12-/m1/s1
• InChIKey: GRQXHIBWEUNUHL-BXKDBHETSA-N

Properties

• Density: 1.653g/cm³ (Cal.)
• Boiling point: 862.426°C at 760 mmHg (Cal.)
• Flash point: 475.378°C (Cal.)