(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Methoxymethyl)-6-Methylpyridin-3-Yl]Methoxy]-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 142628-28-2]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Methoxymethyl)-6-Methylpyridin-3-Yl]Methoxy]-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Methoxymethyl)-6-Methyl-3-Pyridyl]Methoxy]-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Methoxymethyl)-6-Methyl-3-Pyridyl]Methoxy]-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-Hydroxy-4-(Methoxymethyl)-6-Methyl-3-Pyridyl]Methoxy]-6-Methylol-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₃₁NO₁₄
• Molecular Weight: 521.47
• CAS Registry Number: 142628-28-2
• SMILES: [C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)OCC3=CN=C(C(=C3COC)O)C)CO
• InChI: 1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20-16(29)13(26)15(28)17(35-20)19(30)31/h3,10,12-18,20-21,23-29H,4-6H2,1-2H3,(H,30,31)/t10-,12-,13+,14+,15+,16-,17+,18-,20+,21-/m1/s1
• InChIKey: IICDZBPKQPBMEO-HBEHLLOISA-N

Properties

• Density: 1.644g/cm³ (Cal.)
• Boiling point: 875.495°C at 760 mmHg (Cal.)
• Flash point: 483.282°C (Cal.)