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Chemical substance record

Acyclovir

59277-89-3C8H11N5O3225.208 g/mol
Organic/Inorganic Small MoleculeChEBI source record

An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number59277-89-3ChEBI ↗
Molecular formulaC8H11N5O3ChEBI ↗
Molar mass225.208 g/molChEBI ↗
Monoisotopic mass225.08619 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:2453ChEBI ↗

Cross-source molecular data

PubChem
Molar mass225.20 g/molPubChem ↗
Exact mass225.08618923 DaPubChem ↗
Computed XLogP-1.9PubChem ↗
Topological polar surface area (Ų)115PubChem ↗
H-bond donors3PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds4PubChem ↗

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
acyclovir
2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one
MKUXAQIIEYXACX-UHFFFAOYSA-N
Nc1nc(=O)c2ncn(COCCO)c2n1
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)

Names & synonyms

2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-oneacicloviraciclovirumZovir

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 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

antiviral agentantimetaboliteantiviral druganti-HIV agentanti-HSV agentophthalmology drug

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
0.00444034 mol

Uses 225.208 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 · 8 atoms
42.67%
N
Nitrogen · 5 atoms
31.10%
O
Oxygen · 3 atoms
21.31%
H
Hydrogen · 11 atoms
4.92%

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
Aciclovir for Bell's palsy (idiopathic facial paralysis). ↗The Cochrane database of systematic reviews · 2001 · PMID 11687127
Genital herpes simplex virus infection in the adolescent: special considerations for management. ↗Paediatric drugs · 2002 · PMID 11994034
DE2539963 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US4199574 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:2453

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

NCBI PubChem · CID 135398513 · 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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