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Deoxymannojirimycin
[CAS# 84444-90-6]

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Identification
Name Deoxymannojirimycin
Synonyms (2R,3R,4R,5R)-2-Methylolpiperidine-3,4,5-Triol; C10141; Dmj
Molecular Structure CAS#: 84444-90-6, Deoxymannojirimycin
Molecular Formula C6H13NO4
Molecular Weight 163.17
CAS Registry Number 84444-90-6
SMILES [C@@H]1([C@@H]([C@H](O)CN[C@@H]1CO)O)O
InChI 1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey LXBIFEVIBLOUGU-KVTDHHQDSA-N
Properties
Density 1.457g/cm3 (Cal.)
Boiling point 361.118°C at 760 mmHg (Cal.)
Flash point 197.347°C (Cal.)
References
(1) Tailford et al.. Structural and biochemical evidence for a boat-like transition state in beta-mannosidases, Nature Chemical Biology, 2008
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