Basic information
- CAS
31747-34-9- Standard SMILES
Nc1nc(N2CCCCC2)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
BQEKAKXZPCUFRG-UHFFFAOYSA-N- Molecular formula
- C15H22N6O4
- Average molar mass
- 350.37 g/mol
- Monoisotopic mass
- 350.1702532
Names & identifiers
- Preferred name
- 2-(2-Amino-6-piperidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(2-amino-6-piperidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
MLS00311552631747-34-9NSC281316CHEMBL2354560DTXSID40314219NSC-281316SMR001831101DS-0061709-Pentofuranosyl-6-(piperidin-1-yl)-9H-purin-2-amine9H-purin-2-amine,6-(1-piperidinyl)-9-b-d-ribofuranosyl-
Database identifiers
- CAS
31747-34-9- PubChem CID
- 322909
- DTXSID
DTXSID40314219- ChEMBL
CHEMBL2354560
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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