(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-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# 117773-04-3]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-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-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-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-[[(2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-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-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₅H₄₂N₂O₁₉
• Molecular Weight: 674.61
• CAS Registry Number: 117773-04-3
• SMILES: [C@]1(O[C@H]([C@@H]([C@H](C1)O)NC(C)=O)[C@H](O)[C@H](O)CO)(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3NC(C)=O)O)CO)O)CO)O)C(O)=O
• InChI: 1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-17(37)12(6-30)43-23(18(21)38)44-19-14(27-8(2)32)22(39)42-11(5-29)16(19)36/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22+,23-,25-/m0/s1
• InChIKey: KMRCGPSUZRGVOV-TXYBRGFCSA-N

Properties

• Density: 1.701g/cm³ (Cal.)
• Boiling point: 1190.437°C at 760 mmHg (Cal.)
• Flash point: 673.752°C (Cal.)