Basic information
- CAS
23042-04-8- Standard SMILES
CCOc1ncnc2ncn(C3OC(CO)C(O)C3O)c12- InChIKey
ZLMYOHJHOWYMPY-UHFFFAOYSA-N- Molecular formula
- C12H16N4O5
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.11206962
Names & identifiers
- Preferred name
- 6-Ethoxy-7-pentofuranosyl-7h-purine
- IUPAC
- 2-(6-ethoxypurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
23042-04-86-ethoxy-7-pentofuranosyl-7h-purineNSC131662DTXSID80945723NSC-131662
Database identifiers
- CAS
23042-04-8- PubChem CID
- 280217
- DTXSID
DTXSID80945723
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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