Basic information
- CAS
80015-54-9- Standard SMILES
COc1ccc(COC2C(O)C(CO)OC2n2cnc3c(N)ncnc32)cc1- InChIKey
BXCZKVWMLNIKCC-UHFFFAOYSA-N- Molecular formula
- C18H21N5O5
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.15426879
Names & identifiers
- Preferred name
- 9-[2-o-(4-Methoxybenzyl)pentofuranosyl]-9h-purin-6-amine
- IUPAC
- 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
Names & synonyms
80015-54-99-[2-o-(4-methoxybenzyl)pentofuranosyl]-9h-purin-6-amineNSC163565DTXSID00303927NSC-1635659-{2-O-[(4-Methoxyphenyl)methyl]pentofuranosyl}-9H-purin-6-amine
Database identifiers
- CAS
80015-54-9- PubChem CID
- 294692
- DTXSID
DTXSID00303927
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…