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1-Deoxynojirimycin

CAT: 0127-BICL4067-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BICL4067-01Size:100 mg
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CAS Number
19130-96-2
Synonyms
DNJ
MDL Number
MFCD00063474
Purity
>99%
Smiles
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C

Chemical Information

Deoxynojirimycin

Duvoglustat is an optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. It has a role as a hypoglycemic agent, a hepatoprotective agent, an anti-HIV agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an anti-obesity agent, a plant metabolite and a bacterial metabolite. It is a piperidine alkaloid and a 2-(hydroxymethyl)piperidine-3,4,5-triol.

CAS Number19130-96-2
PubChem CID29435
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Molecular FormulaC6H13NO4
Molecular Weight163.17
XLogP-2.3
Topological Polar Surface Area93
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity132
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI
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-JGWLITMVSA-N
Chemical Structure
2D Structure
2D structure of Deoxynojirimycin
CAS: 19130-96-2
CID: 29435
Formula: C6H13NO4
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP3-2.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass163.08445790
Monoisotopic Mass163.08445790
Topological Polar Surface Area93 Ų
Heavy Atom Count11
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TB02201-Deoxynojirimycin
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