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Chemical substance record

Adefovir

106941-25-7C8H12N5O4P273.189 g/mol

A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number106941-25-7ChEBI ↗
Molecular formulaC8H12N5O4PChEBI ↗
Molar mass273.189 g/molChEBI ↗
Monoisotopic mass273.06269 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:2469ChEBI ↗

Cross-source molecular data

PubChem
Molar mass273.19 g/molPubChem ↗
Exact mass273.06269088 DaPubChem ↗
Computed XLogP-2PubChem ↗
Topological polar surface area (Ų)136PubChem ↗
H-bond donors3PubChem ↗
H-bond acceptors8PubChem ↗
Rotatable bonds5PubChem ↗

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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adefovir
{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid
SUPKOOSCJHTBAH-UHFFFAOYSA-N
Nc1ncnc2c1ncn2CCOCP(=O)(O)O
InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)

Names & synonyms

{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antiviral drugdrug metabolitenephrotoxic agentHIV-1 reverse transcriptase inhibitorDNA synthesis inhibitoranti-HIV agentanti-HBV agent

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
0.00366047 mol

Uses 273.189 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
35.17%
N
Nitrogen · 5 atoms
25.64%
O
Oxygen · 4 atoms
23.43%
P
Phosphorus · 1 atom
11.34%
H
Hydrogen · 12 atoms
4.43%

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

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:2469

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

NCBI PubChem · CID 60172 · 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.