(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)-6-Methoxyoxan-4-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 106759-09-5]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)-6-Methoxyoxan-4-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)-6-Methoxy-Tetrahydropyran-4-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6R)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)-6-Methoxy-4-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-Acetamido-5-Hydroxy-2-Methoxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₅H₂₅NO₁₂
• Molecular Weight: 411.36
• CAS Registry Number: 106759-09-5
• SMILES: [C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(O)=O)NC(=O)C)OC)CO
• InChI: 1S/C15H25NO12/c1-4(18)16-6-11(7(19)5(3-17)26-14(6)25-2)27-15-10(22)8(20)9(21)12(28-15)13(23)24/h5-12,14-15,17,19-22H,3H2,1-2H3,(H,16,18)(H,23,24)/t5-,6-,7-,8+,9+,10-,11-,12+,14-,15-/m1/s1
• InChIKey: QBCYMOTVOLDSJF-TUAGYZNYSA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 796.999°C at 760 mmHg (Cal.)
• Flash point: 435.81°C (Cal.)