(2R,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 35259-23-5]

Identification

• Name: (2R,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2R,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexoxy]-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Keto-Hexoxy]-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₉NO₁₄
• Molecular Weight: 471.41
• CAS Registry Number: 35259-23-5
• SMILES: [C@@H]1(C[C@](O[C@H]([C@@H]1NC(C)=O)[C@@H]([C@@H](CO)O)O)(OC[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)C(O)=O)O
• InChI: 1S/C17H29NO14/c1-6(21)18-11-7(22)2-17(16(29)30,32-15(11)14(28)9(24)4-20)31-5-10(25)13(27)12(26)8(23)3-19/h3,7-15,20,22-28H,2,4-5H2,1H3,(H,18,21)(H,29,30)/t7-,8-,9+,10+,11+,12+,13-,14+,15+,17+/m0/s1
• InChIKey: NLTUGNYYOIVQSD-XRLCZLRQSA-N

Properties

• Density: 1.669g/cm³ (Cal.)
• Boiling point: 977.419°C at 760 mmHg (Cal.)
• Flash point: 544.923°C (Cal.)