Deoxyfuconojirimycin

HCID 122618CAS 99212-30-3

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Basic information

Standard SMILES: C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
InChIKey: VYOCYWDJTQRZLC-KCDKBNATSA-N
Molecular formula: C6H13NO3
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.08954328

Overview

Deoxyfuconojirimycin is a hydroxypiperidine in which the three hydroxy substituents are located at positions 3, 4 and 5 together with an additional methyl substituent at position 2. It has a role as a fungal metabolite. It is a triol and a hydroxypiperidine.

Names & identifiers

Preferred name: Deoxyfuconojirimycin
IUPAC: (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol
English name: Deoxyfuconojirimycin, hydrochloride
Molecular formula: C6H13NO3
Molecular weight: 147.17

Names & synonyms

Deoxyfuconojirimycin99212-30-3(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol1,2,6-Trideoxy-2,6-imino-D-galactitol1,5-Dideoxy-1,5-iminofucitolDeoxyfuco-nojirimycinCHEBI:132866RefChem:485684Deoxyfuconojirimycin,hydrochlorideCHEMBL3147723,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol

Show more names

DFJDFJ, HYDROCHLORIDE1-DeoxyfuconojirimycinDEOXYFUCONOJIRIMYCIN HCL1-DeoxyfuconojiriMycin HCl (DFJ)Deoxyfuconojirimycin, hydrochloride1-Deoxyfuconojirimycin hydrochloride1,5-DIDEOXY-1,5-IMINO-L-FUCITOL, HCL1-Deoxyfuconojirimycin hydrochloride ,98%

L-fuco-DeoxynojirimycinFucosidase Inhibitor, 31-Deoxyfuconojirimycin HClSCHEMBL4378188DTXSID60912837VYOCYWDJTQRZLC-KCDKBNATSA-N1,5-Dideoxy-1,5-imino-L-fucitolBDBM50065258

Database identifiers

CAS: 99212-30-3
PubChem CID: 122618
DTXSID: DTXSID60912837
ChEMBL: CHEMBL314772
ChEBI: CHEBI:132866
Nikkaji: J653.804E

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 72.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 155 · 155-157
storage temp.: Refrigerator, Under Inert Atmosphere
solubility: Methanol (Slightly, Sonicated), Water (Slightly)
form: Solid
color: Pale Beige to Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 29329990 · 29329990

Safety & regulation

Hazard information

Regulatory Information3,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

hs_code: 29329990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesA powerful and specific inhibitor of several alpha-L-fucosidases

Usesselective inhibitor of a-D-galactosidase

Suppliers16 total

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

上海维亦特生物科技有限公司15317051735 · [email protected]

杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Deoxyfuconojirimycin is a hydroxypiperidine in which the three hydroxy substituents are located at positions 3, 4 and 5 together with an additional methyl substituent at position 2. It has a role as a fungal metabolite. It is a hydroxypiperidine and a triol.

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