Basic information
- Standard SMILES
Nc1nc(Cl)c2ncn(OCCOCP(=O)(O)O)c2n1- InChIKey
XCJVVNCBVZHFRL-UHFFFAOYSA-N- Molecular formula
- C8H11ClN5O5P
- Average molar mass
- 323.63 g/mol
Names & identifiers
- Preferred name
- 2-Amino-6-chloro-9-[2-(phosphonomethoxy)ethoxy]purine
- IUPAC
- 2-(2-amino-6-chloropurin-9-yl)oxyethoxymethylphosphonic acid
Names & synonyms
SCHEMBL9417171XCJVVNCBVZHFRL-UHFFFAOYSA-N2-Amino-6-chloro-9-[2-(phosphonomethoxy)ethoxy]purine2-(2-amino-6-chloro-purin-9-yl)oxyethoxymethylphosphonic acidPhosphonic acid, [[2-[(2-amino-6-chloro-9H-purin-9-yl)oxy]ethoxy]methyl]-
Database identifiers
- PubChem CID
- 3011010
- Nikkaji
- J448.588B
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
1 records
Compound notes
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