215790-29-7 Purity
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Specification
The molecular formula is C22H39NO5.
The synonyms are AMP-Deoxynojirimycin, 216758-20-2, AMP-DNM, CHEMBL574645.
The molecular weight is 397.5 g/mol.
The IUPAC name is (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.
The InChI is InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1.
The InChIKey is XVYLNHVEAOOEGI-FAIWKWDXSA-N.
The canonical SMILES is C1C2CC3CC1CC(C2)(C3)COCCCCCN4CC(C(C(C4CO)O)O)O.
The chemical formula is C22H39NO5.
The ChEMBL ID is CHEMBL574645.
Yes, it is a canonicalized compound.