(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-Amino-1,2,4-Trihydroxy-6-Oxo-Hexan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 126151-66-4]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-Amino-1,2,4-Trihydroxy-6-Oxo-Hexan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-Amino-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxo-Butoxy]-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-Amino-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxobutoxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-Amino-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Keto-Butoxy]-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₃H₄₀N₂O₁₈
• Molecular Weight: 632.57
• CAS Registry Number: 126151-66-4
• SMILES: [C@]1(O[C@H]([C@H](NC(=O)C)[C@@H](O)C1)[C@H](O)[C@H](O)CO)(O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)[C@@H]2O)CO)C(O)=O
• InChI: 1S/C23H40N2O18/c1-7(30)25-13-9(31)2-23(22(38)39,42-19(13)15(35)10(32)4-27)43-20-16(36)12(6-29)40-21(17(20)37)41-18(11(33)5-28)14(34)8(24)3-26/h3,8-21,27-29,31-37H,2,4-6,24H2,1H3,(H,25,30)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-/m0/s1
• InChIKey: MKNNYTWMAUAKMA-FHHHURIISA-N

Properties

• Density: 1.696g/cm³ (Cal.)
• Boiling point: 1127.305°C at 760 mmHg (Cal.)
• Flash point: 635.571°C (Cal.)