Basic information
- CAS
118552-93-5- Standard SMILES
Nc1ncnc2c1nc(Br)n2CCOCP(=O)(O)O- InChIKey
OQEILKBTUXZPBJ-UHFFFAOYSA-N- Molecular formula
- C8H11BrN5O4P
- Average molar mass
- 352.08 g/mol
- Monoisotopic mass
- 350.9732
Names & identifiers
- Preferred name
- Phosphonic acid, [[2-(6-amino-8-bromo-9H-purin-9-yl)ethoxy]methyl]-
- IUPAC
- 2-(6-amino-8-bromopurin-9-yl)ethoxymethylphosphonic acid
Names & synonyms
CHEMBL66356118552-93-5Phosphonic acid, [[2-(6-amino-8-bromo-9H-purin-9-yl)ethoxy]methyl]-DTXSID70332901BDBM504722598-Bromo-9-[2-(phosphonomethoxy)ethyl]adenine2-(6-amino-8-bromo-purin-9-yl)ethoxymethylphosphonic acid{[2-(6-Amino-8-bromo-9H-purin-9-yl)ethoxy]methyl}phosphonic acid
Database identifiers
- CAS
118552-93-5- PubChem CID
- 472192
- DTXSID
DTXSID70332901- ChEMBL
CHEMBL66356
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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