(1S,2R,4S,6R)-6-Amino-1,2,4-cyclohexanetriol
[CAS# 696616-97-4]

Identification

• Name: (1S,2R,4S,6R)-6-Amino-1,2,4-cyclohexanetriol
• Synonyms: (−)-(1S,2R,4S,6R)-6-Aminocyclohexane-1,2,4-triol; (1S,2R,4S,6R)-6-aminocyclohexane-1,2,4-triol
• Molecular Formula: C₆H₁₃NO₃
• Molecular Weight: 147.17
• CAS Registry Number: 696616-97-4
• SMILES: C1[C@@H](C[C@H]([C@H]([C@@H]1N)O)O)O
• InChI: 1S/C6H13NO3/c7-4-1-3(8)2-5(9)6(4)10/h3-6,8-10H,1-2,7H2/t3-,4+,5+,6-/m0/s1
• InChIKey: AJPMRDGSYGSEND-KCDKBNATSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 305.2±42.0°C at 760 mmHg (Cal.)
• Flash point: 138.4±27.9°C (Cal.)
• Refractive index: 1.602 (Cal.)

References

• (1): David J. Miller, M. Bashir-Uddin Surfraz, Mahmoud Akhtar, David Gani and Rudolf K. Allemann. Removal of the phosphate group in mechanism-based inhibitors of inositol monophosphatase leads to unusual inhibitory activity, Org. Biomol. Chem., 2004, 2, 671.