5'-O-(Cellobiosyl)pyridoxine
[CAS# 116169-14-3]

Identification

• Name: 5'-O-(Cellobiosyl)pyridoxine
• Synonyms: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-[[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridyl]Methoxy]-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-[[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridyl]Methoxy]-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-[(5-Hydroxy-6-Methyl-4-Methylol-3-Pyridyl)Methoxy]-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₀H₃₁NO₁₃
• Molecular Weight: 493.46
• CAS Registry Number: 116169-14-3
• SMILES: [C@H]3(OCC1=C(C(=C(N=C1)C)O)CO)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O3)CO
• InChI: 1S/C20H31NO13/c1-7-12(25)9(3-22)8(2-21-7)6-31-19-17(30)15(28)18(11(5-24)33-19)34-20-16(29)14(27)13(26)10(4-23)32-20/h2,10-11,13-20,22-30H,3-6H2,1H3/t10-,11-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
• InChIKey: JBPUGXTYHUSDKT-ORYXFIOKSA-N

Properties

• Density: 1.669g/cm³ (Cal.)
• Boiling point: 885.281°C at 760 mmHg (Cal.)
• Flash point: 489.201°C (Cal.)