(4R,5S,6R,7S,8R)-5,7-Diacetamido-4,6,8-Trihydroxy-2-Oxononanoic Acid
[CAS# 112154-63-9]

Identification

• Name: (4R,5S,6R,7S,8R)-5,7-Diacetamido-4,6,8-Trihydroxy-2-Oxononanoic Acid
• Synonyms: (4R,5S,6R,7S,8R)-5,7-Diacetamido-4,6,8-Trihydroxy-2-Oxo-Nonanoic Acid; (4R,5S,6R,7S,8R)-5,7-Diacetamido-4,6,8-Trihydroxy-2-Keto-Pelargonic Acid; 5,7-Diacetamido-3,5,7,9-Tetradeoxy-Glycerogalacto-Nonulosonic Acid
• Molecular Formula: C₁₃H₂₂N₂O₈
• Molecular Weight: 334.33
• CAS Registry Number: 112154-63-9
• SMILES: [C@@H](C)([C@H](NC(C)=O)[C@H]([C@@H](NC(=O)C)[C@@H](CC(C(=O)O)=O)O)O)O
• InChI: 1S/C13H22N2O8/c1-5(16)10(14-6(2)17)12(21)11(15-7(3)18)8(19)4-9(20)13(22)23/h5,8,10-12,16,19,21H,4H2,1-3H3,(H,14,17)(H,15,18)(H,22,23)/t5-,8-,10+,11+,12-/m1/s1
• InChIKey: LRTLWORKIZTEJN-OIPGZRGRSA-N

Properties

• Density: 1.386g/cm³ (Cal.)
• Boiling point: 771.335°C at 760 mmHg (Cal.)
• Flash point: 420.288°C (Cal.)