Basic information
- Standard SMILES
Nc1ncnc2ncn(CCOCP(=O)(O)O)c12- InChIKey
KWRDJWFJFVMQRY-UHFFFAOYSA-N- Molecular formula
- C8H12N5O4P
- Average molar mass
- 273.19 g/mol
Names & identifiers
- Preferred name
- 7-[2-(Phosphonomethoxy)ethyl]adenine
- IUPAC
- 2-(6-aminopurin-7-yl)ethoxymethylphosphonic acid
Names & synonyms
CHEMBL1236557-[2-(Phosphonomethoxy)ethyl]adenine2-(6-aminopurin-7-yl)ethoxymethylphosphonic acid374678-39-4Adefovir Dipivoxil Impurity 35SCHEMBL6694862KWRDJWFJFVMQRY-UHFFFAOYSA-NBDBM50105931[2-(6-Amino-purin-7-yl)-ethoxymethyl]-phosphonic acidPhosphonic acid, 2-(6-amino-7H-purin-7-yl)ethoxy-methyl-
Database identifiers
- PubChem CID
- 488935
- ChEMBL
CHEMBL123655- Nikkaji
- J1.036.205I
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
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