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Chemical structure of Deoxynojirimycin Tetrabenzyl Ether

GC43409

Deoxynojirimycin Tetrabenzyl Ether

Also known as (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

Deoxynojirimycin (dNM) tetrabenzyl ether is an intermediate for the synthesis of glucosylceramide synthase inhibitors such as 1-dNM, a glucose analog that potently inhibits α-glucosidase I and II

ChemicalCAS69567-11-9MW523.7FormulaC34H37NO4
CAS number
69567-11-9
Molecular weight
523.7
Formula
C34H37NO4
Solubility
DMF： 15 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH7·2) 1：1： 0·5 mg/ml,Ethanol： 0·25 mg/ml
InChIKey
HHIIDKLQTCPFQA-KMKAFXEASA-N
Catalogue number
GC43409
Brand
GLPBIO
Computed properties PubChem CID 11027759 · XLogP 5.2 · TPSA 49 Ų · H-bond donors 1
XLogP
5.2
TPSA
49 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
39

SMILES C1[C@@H]([C@H]([C@@H]([C@H](N1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Computed descriptors from PubChem (CID 11027759), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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