(2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid
[CAS# 114031-22-0]

Identification

• Name: (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid
• Synonyms: N-methylglucamine gluconate
• Molecular Formula: C₁₃H₂₉NO₁₂
• Molecular Weight: 391.37
• CAS Registry Number: 114031-22-0
• SMILES: O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO.OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: 1S/C7H17NO5.C6H12O7/c1-8-2-4(10)6(12)7(13)5(11)3-9;7-1-2(8)3(9)4(10)5(11)6(12)13/h4-13H,2-3H2,1H3;2-5,7-11H,1H2,(H,12,13)/t4-,5+,6+,7+;2-,3-,4+,5-/m01/s1
• InChIKey: HNIRPXHNYFHJAP-DXVPMCFJSA-N

Properties

• Boiling point: 867.9°C at 760 mmHg (Cal.)
• Flash point: 478.7°C (Cal.)
• Refractive index: (Cal.)