Home/Chemicals/73-40-5

Chemical substance record

Guanine

73-40-5C₅H₅N₅O151.129 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A 2-aminopurine carrying a 6-oxo substituent. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	73-40-5	ChEBI ↗
Molecular formula	C₅H₅N₅O	ChEBI ↗
Molar mass	151.129 g/mol	ChEBI ↗
Monoisotopic mass	151.04941 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16235	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	151.13 g/mol	PubChem ↗
Exact mass	151.04940980 Da	PubChem ↗
Computed XLogP	-1.1	PubChem ↗
Topological polar surface area (Å²)	96.2	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	0	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

guanine

IUPAC name

2-amino-1,9-dihydro-6H-purin-6-one

InChIKey

UYTPUPDQBNUYGX-UHFFFAOYSA-N

SMILES

Nc1nc(=O)c2ncnc2n1

InChI

InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Names & synonyms

2-amino-1,9-dihydro-6H-purin-6-one

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

Classification & relationships

ChEBI ontology

2-aminopurinesChEBI parent class · 20702 ↗oxopurineChEBI parent class · 25810 ↗purine nucleobaseChEBI parent class · 26386 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antineoplastic agentmouse metaboliteSaccharomyces cerevisiae metaboliteEscherichia coli metabolitehuman metabolitealgal 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

0.00661686 mol

Uses 151.129 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

N

Nitrogen · 5 atoms

46.34%

C

Carbon · 5 atoms

39.74%

O

Oxygen · 1 atom

10.59%

H

Hydrogen · 5 atoms

3.33%

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

ELISA of pentosidine, an advanced glycation end product, in biological specimens. ↗Clinical chemistry · 1994 Sep · PMID 8070089

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16235

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

Additional molecular descriptorsNCBI PubChem · CID 135398634 · 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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