(2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4,5-Dihydroxy-6-Methoxyoxane-2-Carboxylic Acid
[CAS# 156881-25-3]

Identification

• Name: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4,5-Dihydroxy-6-Methoxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-Methoxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4R,5R,6R)-3-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-Methoxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-Methoxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₅H₂₅NO₁₂
• Molecular Weight: 411.36
• CAS Registry Number: 156881-25-3
• SMILES: [C@H]2(OC)[C@H](O)[C@@H](O)[C@H](O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)C)[C@H](O2)C(=O)O
• InChI: 1S/C15H25NO12/c1-4(18)16-6-8(20)7(19)5(3-17)26-14(6)27-11-9(21)10(22)15(25-2)28-12(11)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: GXMRSXSVVLWYCI-XTLSIONJSA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 806.425°C at 760 mmHg (Cal.)
• Flash point: 441.51°C (Cal.)