(4R,5R,6R,7R)-4,6,7,8-Tetrahydroxy-5-Methoxy-2-Oxooctanoic Acid
[CAS# 111187-87-2]

Identification

• Name: (4R,5R,6R,7R)-4,6,7,8-Tetrahydroxy-5-Methoxy-2-Oxooctanoic Acid
• Synonyms: (4R,5R,6R,7R)-4,6,7,8-Tetrahydroxy-5-Methoxy-2-Oxo-Octanoic Acid; (4R,5R,6R,7R)-4,6,7,8-Tetrahydroxy-2-Keto-5-Methoxy-Caprylic Acid; 3-Methyl-Kdo
• Molecular Formula: C₉H₁₆O₈
• Molecular Weight: 252.22
• CAS Registry Number: 111187-87-2
• SMILES: [C@@H](CO)([C@H]([C@H](OC)[C@@H](CC(C(=O)O)=O)O)O)O
• InChI: 1S/C9H16O8/c1-17-8(7(14)6(13)3-10)4(11)2-5(12)9(15)16/h4,6-8,10-11,13-14H,2-3H2,1H3,(H,15,16)/t4-,6-,7-,8-/m1/s1
• InChIKey: HFBGCURPZAAYRW-XVFCMESISA-N

Properties

• Density: 1.513g/cm³ (Cal.)
• Boiling point: 546.603°C at 760 mmHg (Cal.)
• Flash point: 215.794°C (Cal.)