(2S)-3-Methyl-2-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}butanoic acid
[CAS# 88455-08-7]

Identification

• Name: (2S)-3-Methyl-2-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}butanoic acid
• Synonyms: D-Glucitol, 1-((1-carboxy-2-methylpropyl)amino)-1-deoxy-, (S)-; Glucitolvaline
• Molecular Formula: C₁₁H₂₃NO₇
• Molecular Weight: 281.30
• CAS Registry Number: 88455-08-7
• SMILES: O=C(O)[C@@H](NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)C
• InChI: 1S/C11H23NO7/c1-5(2)8(11(18)19)12-3-6(14)9(16)10(17)7(15)4-13/h5-10,12-17H,3-4H2,1-2H3,(H,18,19)/t6-,7+,8-,9+,10+/m0/s1
• InChIKey: YCFRSHNMJZSIOI-SQXHDICFSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 611.913°C at 760 mmHg (Cal.)
• Flash point: 323.873°C (Cal.)