(2S,4S,5R,6R)-5-Acetamido-4-Acetyloxy-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 16655-75-7]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-4-Acetyloxy-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-4-Acetoxy-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Acetoxy-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; D-Glycero-D-Galacto-2-Nonulosonic Acid, 5-(Acetylamino)-3,5-Dideoxy-, 4-Acetate
• Molecular Formula: C₁₃H₂₁NO₁₀
• Molecular Weight: 351.31
• CAS Registry Number: 16655-75-7 (29979-14-4)
• SMILES: [C@]1(C(=O)O)(O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](OC(=O)C)C1
• InChI: 1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1
• InChIKey: LVBIMVQYUKOENY-XAGGSGLKSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 747.61°C at 760 mmHg (Cal.)
• Flash point: 405.94°C (Cal.)