alpha-D-Glucopyranose 6-(3-Pyridinecarboxylate)
[CAS# 70802-12-9]

Identification

• Name: alpha-D-Glucopyranose 6-(3-Pyridinecarboxylate)
• Synonyms: [(2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methyl Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [(2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxy-2-Tetrahydropyranyl]Methyl Ester; Nicotinic Acid [(2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₁₂H₁₅NO₇
• Molecular Weight: 285.25
• CAS Registry Number: 70802-12-9
• SMILES: [C@H]1(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1COC(=O)C2=CN=CC=C2)O
• InChI: 1S/C12H15NO7/c14-8-7(20-12(18)10(16)9(8)15)5-19-11(17)6-2-1-3-13-4-6/h1-4,7-10,12,14-16,18H,5H2/t7-,8-,9+,10-,12+/m1/s1
• InChIKey: ASJDJBXXEHTEBW-GPTQDWHKSA-N

Properties

• Density: 1.567g/cm³ (Cal.)
• Boiling point: 494.609°C at 760 mmHg (Cal.)
• Flash point: 252.931°C (Cal.)