9-Pentofuranosyl-N~6~-(2-phenylethyl)-9H-purine-2,6-diamine
Basic information
- CAS
26775-35-9- Standard SMILES
Nc1nc(NCCc2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
XVCLWWVXSSFVJE-UHFFFAOYSA-N- Molecular formula
- C18H22N6O4
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.1702532
Names & identifiers
- Preferred name
- 9-Pentofuranosyl-N~6~-(2-phenylethyl)-9H-purine-2,6-diamine
- IUPAC
- 2-[2-amino-6-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
26775-35-9NSC281315DTXSID803142189-Pentofuranosyl-N~6~-(2-phenylethyl)-9H-purine-2,6-diamineNSC-281315
Database identifiers
- CAS
26775-35-9- PubChem CID
- 322908
- DTXSID
DTXSID80314218
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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