2-(Hydroxymethyl)-5-(6-pyrrolidin-1-ylpurin-9-yl)oxolane-3,4-diol
Basic information
- CAS
36799-21-0- Standard SMILES
OCC1OC(n2cnc3c(N4CCCC4)ncnc32)C(O)C1O- InChIKey
PGUZGBYEKYPBII-UHFFFAOYSA-N- Molecular formula
- C14H19N5O4
- Average molar mass
- 321.33 g/mol
- Monoisotopic mass
- 321.1437041
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(6-pyrrolidin-1-ylpurin-9-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(6-pyrrolidin-1-ylpurin-9-yl)oxolane-3,4-diol
Names & synonyms
MLS00311552536799-21-0NSC281313CHEMBL1872549DTXSID60314216NSC-281313SMR0018311009-Pentofuranosyl-6-(pyrrolidin-1-yl)-9H-purine
Database identifiers
- CAS
36799-21-0- PubChem CID
- 322906
- DTXSID
DTXSID60314216- ChEMBL
CHEMBL1872549
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
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Compound notes
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