5'-O-(Glucotriosyl)pyridoxine
[CAS# 116169-16-5]

Identification

• Name: 5'-O-(Glucotriosyl)pyridoxine
• Synonyms: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridyl]Methyl]-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridyl]Methyl]-6-(Hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(5-Hydroxy-6-Methyl-4-Methylol-3-Pyridyl)Methyl]-6-Methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₆H₄₁NO₁₈
• Molecular Weight: 655.61
• CAS Registry Number: 116169-16-5
• SMILES: [C@@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CO)(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CC4=C(C(=C(N=C4)C)O)CO
• InChI: 1S/C26H41NO18/c1-8-14(32)10(4-28)9(3-27-8)2-26(45-25-22(40)19(37)16(34)12(6-30)42-25)23(20(38)17(35)13(7-31)44-26)43-24-21(39)18(36)15(33)11(5-29)41-24/h3,11-13,15-25,28-40H,2,4-7H2,1H3/t11-,12-,13-,15-,16-,17-,18+,19+,20+,21-,22-,23-,24+,25+,26+/m1/s1
• InChIKey: JYTHSXFFRSRXHJ-XAHHDDRHSA-N

Properties

• Density: 1.768g/cm³ (Cal.)
• Boiling point: 1057.562°C at 760 mmHg (Cal.)
• Flash point: 593.392°C (Cal.)