Home/Chemicals/9012-76-4

Chemical substance record

Chitosan

9012-76-4(C₆H₁₁NO₄)n.H₂O179.172 g/mol

Salt and Compound WithChEBI source record

An aminoglycan consisting of β-(1→4)-linked D-glucosamine residues. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	9012-76-4	ChEBI ↗
Molecular formula	(C₆H₁₁NO₄)n.H₂O	ChEBI ↗
Molar mass	179.172 g/mol	ChEBI ↗
Monoisotopic mass	179.07937 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16261	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	179.17 g/mol	PubChem ↗
Exact mass	179.07937252 Da	PubChem ↗
Computed XLogP	-2.8	PubChem ↗
Topological polar surface area (Å²)	116	PubChem ↗
H-bond donors	5	PubChem ↗
H-bond acceptors	6	PubChem ↗
Rotatable bonds	1	PubChem ↗

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

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Source preferred name

chitosan

IUPAC name

(1->4)-2-amino-2-deoxy-beta-D-glucan

InChIKey

MSWZFWKMSRAUBD-QZABAPFNSA-N

SMILES

[H]O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N

InChI

InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1

Names & synonyms

(1->4)-2-amino-2-deoxy-beta-D-glucanpoliglusam

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

Classification & relationships

ChEBI ontology

aminoglycanChEBI parent class · 22506 ↗exopolysaccharideChEBI parent class · 72813 ↗

organic molecular entity

Roles recorded in ChEBI

elicitorplant activatorvulnerarySaccharomyces cerevisiae 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

Amount

Input unit

Equivalent amount

0.00558123 mol

Uses 179.172 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Research & patent references

Selected source associations

The Effect of Chitosan in Wound Healing: A Systematic Review. ↗Advances in skin & wound care · 2021 May 1 · PMID 33208634

Antimicrobial Properties of Chitosan and Chitosan Derivatives in the Treatment of Enteric Infections. ↗Molecules (Basel, Switzerland) · 2021 Nov 25 · PMID 34885715

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16261

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

Additional molecular descriptorsNCBI PubChem · CID 441477 · 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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