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Chemical substance record

Duvoglustat

19130-96-2C6H13NO4163.173 g/mol
Organic/Inorganic Small MoleculeChEBI source record

An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number19130-96-2ChEBI ↗
Molecular formulaC6H13NO4ChEBI ↗
Molar mass163.173 g/molChEBI ↗
Monoisotopic mass163.08446 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:44369ChEBI ↗

Cross-source molecular data

PubChem
Molar mass163.17 g/molPubChem ↗
Exact mass163.08445790 DaPubChem ↗
Computed XLogP-2.3PubChem ↗
Topological polar surface area (Ų)93PubChem ↗
H-bond donors5PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
duvoglustat
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
LXBIFEVIBLOUGU-JGWLITMVSA-N
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
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

Names & synonyms

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
piperidine alkaloidChEBI parent class · 26147 ↗2-(hydroxymethyl)piperidine-3,4,5-triolChEBI parent class · 72490 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

hypoglycemic agenthepatoprotective agentanti-HIV agentEC 3.2.1.20 (alpha-glucosidase) inhibitoranti-obesity agentplant metabolitebacterial metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00612846 mol

Uses 163.173 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 6 atoms
44.17%
O
Oxygen · 4 atoms
39.22%
N
Nitrogen · 1 atom
8.58%
H
Hydrogen · 13 atoms
8.03%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Production of the α-glycosidase inhibitor 1-deoxynojirimycin from Bacillus species. ↗Food chemistry · 2013 May 1 · PMID 23265519
Isolation of the putative biosynthetic gene cluster of 1-deoxynojirimycin by Bacillus amyloliquefaciens 140N, its production and application to the fermentation of soybean paste. ↗Bioscience, biotechnology, and biochemistry · 2013 · PMID 23391926
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:44369

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 29435 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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