5'-O-(6-O-Malonylglucopyranosyl)pyridoxine
[CAS# 99102-39-3]

Identification

• Name: 5'-O-(6-O-Malonylglucopyranosyl)pyridoxine
• Synonyms: 3-Oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridyl]Methoxy]Tetrahydropyran-2-Yl]Methoxy]Propanoic Acid; 3-Oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridyl]Methoxy]-2-Te
• Molecular Formula: C₁₇H₂₃NO₁₁
• Molecular Weight: 417.37
• CAS Registry Number: 99102-39-3
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(CC(O)=O)=O)OCC2=C(C(=C(N=C2)C)O)CO)O)O)O
• InChI: 1S/C17H23NO11/c1-7-13(23)9(4-19)8(3-18-7)5-28-17-16(26)15(25)14(24)10(29-17)6-27-12(22)2-11(20)21/h3,10,14-17,19,23-26H,2,4-6H2,1H3,(H,20,21)/t10-,14-,15+,16-,17-/m1/s1
• InChIKey: AEDORKVKMIVLBW-BLDDREHASA-N

Properties

• Density: 1.612g/cm³ (Cal.)
• Boiling point: 792.762°C at 760 mmHg (Cal.)
• Flash point: 433.247°C (Cal.)