[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-(Hydroxymethyl)-4,6-Bis[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl] Acetate
[CAS# 130787-82-5]

Identification

• Name: [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-(Hydroxymethyl)-4,6-Bis[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl] Acetate
• Synonyms: [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-(Hydroxymethyl)-4,6-Bis[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-2-(Hydroxymethyl)-4,6-Bis[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-Methylol-4,6-Bis[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₈H₄₇NO₂₂
• Molecular Weight: 749.67
• CAS Registry Number: 130787-82-5
• SMILES: [C@H]4(O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2OC(=O)C)CO)[C@H](O[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H]4NC(=O)C)CO
• InChI: 1S/C28H47NO22/c1-7(34)29-13-23(50-26-20(42)17(39)14(36)9(3-30)45-26)22(49-28-24(44-8(2)35)19(41)16(38)11(5-32)47-28)12(6-33)48-25(13)51-27-21(43)18(40)15(37)10(4-31)46-27/h9-28,30-33,36-43H,3-6H2,1-2H3,(H,29,34)/t9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+,28+/m1/s1
• InChIKey: SLDLVKIBSJOGAT-ZAJOLMIISA-N

Properties

• Density: 1.707g/cm³ (Cal.)
• Boiling point: 1061.359°C at 760 mmHg (Cal.)
• Flash point: 595.688°C (Cal.)