(4S,5R,6R,7R)-5-Acetamido-4,6,7,8-Tetrahydroxy-2-Oxooctanoic Acid
[CAS# 30100-61-9]

Identification

• Name: (4S,5R,6R,7R)-5-Acetamido-4,6,7,8-Tetrahydroxy-2-Oxooctanoic Acid
• Synonyms: (4S,5R,6R,7R)-5-Acetamido-4,6,7,8-Tetrahydroxy-2-Oxo-Octanoic Acid; (4S,5R,6R,7R)-5-Acetamido-4,6,7,8-Tetrahydroxy-2-Keto-Caprylic Acid; 5-Acetamido-3,5-Dideoxy-D-Galactosyloctulosonic Acid
• Molecular Formula: C₁₀H₁₇NO₈
• Molecular Weight: 279.25
• CAS Registry Number: 30100-61-9
• SMILES: [C@@H](CO)([C@@H]([C@@H]([C@H](CC(C(O)=O)=O)O)NC(C)=O)O)O
• InChI: 1S/C10H17NO8/c1-4(13)11-8(9(17)7(16)3-12)5(14)2-6(15)10(18)19/h5,7-9,12,14,16-17H,2-3H2,1H3,(H,11,13)(H,18,19)/t5-,7+,8+,9-/m0/s1
• InChIKey: LZIYJWQXUZGDKJ-HKVUECMASA-N

Properties

• Density: 1.527g/cm³ (Cal.)
• Boiling point: 709.585°C at 760 mmHg (Cal.)
• Flash point: 382.944°C (Cal.)