(2R,3R,4S,5R,6Z)-2-(Hydroxymethyl)-6-(propylimino)-3,4,5-piperidinetriol
[CAS# 675130-11-7]

Identification

• Name: (2R,3R,4S,5R,6Z)-2-(Hydroxymethyl)-6-(propylimino)-3,4,5-piperidinetriol
• Synonyms: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-(propylamino)-2,3,4,5-tetrahydropyridine-3,4,5-triol; 1-[(4-Aminobutyl)amino]-1,5-anhydro-1-deoxy-1-imino-D-glucitol; nchembio.81-comp2e
• Molecular Formula: C₉H₁₈N₂O₄
• Molecular Weight: 218.25
• CAS Registry Number: 675130-11-7
• SMILES: CCC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
• InChI: 1S/C9H18N2O4/c1-2-3-10-9-8(15)7(14)6(13)5(4-12)11-9/h5-8,12-15H,2-4H2,1H3,(H,10,11)/t5-,6-,7+,8+/m1/s1
• InChIKey: LIWBMOANWHCHAN-NGJRWZKOSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 452.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 227.7±28.7°C (Cal.)
• Refractive index: 1.609 (Cal.)

References

• (1): Tailford et al.. Structural and biochemical evidence for a boat-like transition state in beta-mannosidases, Nature Chemical Biology, 2008