Home/Chemicals/58-63-9

Chemical substance record

Inosine

58-63-9C₁₀H₁₂N₄O₅268.229 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A purine nucleoside in which hypoxanthine is attached to ribofuranose via a β-N9-glycosidic bond. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	58-63-9	ChEBI ↗
Molecular formula	C₁₀H₁₂N₄O₅	ChEBI ↗
Molar mass	268.229 g/mol	ChEBI ↗
Monoisotopic mass	268.08077 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:17596	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	268.23 g/mol	PubChem ↗
Exact mass	268.08076950 Da	PubChem ↗
Computed XLogP	-1.3	PubChem ↗
Topological polar surface area (Å²)	129	PubChem ↗
H-bond donors	4	PubChem ↗
H-bond acceptors	7	PubChem ↗
Rotatable bonds	2	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

inosine

IUPAC name

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol

InChIKey

UGQMRVRMYYASKQ-KQYNXXCUSA-N

SMILES

OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

InChI

InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

Names & synonyms

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol9-(beta-D-ribofuranosyl)-9H-purin-6-olinosinainosinum

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

Classification & relationships

ChEBI ontology

purines D-ribonucleosideChEBI parent class · 142355 ↗inosinesChEBI parent class · 24844 ↗

nucleoside organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

mouse metaboliteSaccharomyces cerevisiae metaboliteEscherichia coli metabolitehuman 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

0.00372816 mol

Uses 268.229 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 · 10 atoms

44.78%

O

Oxygen · 5 atoms

29.82%

N

Nitrogen · 4 atoms

20.89%

H

Hydrogen · 12 atoms

4.51%

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

Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. ↗Analytical chemistry · 2012 Aug 7 · PMID 22770225

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:17596

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

Additional molecular descriptorsNCBI PubChem · CID 135398641 · 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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