2,6-diamino-9-[3'-(imidazol-1-yl)butyl-beta-D-ribofuranosyl]purine

HCID 86756992
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Basic information

Standard SMILES
Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@](O)(CCCCn4ccnc4)[C@H]3O)c2n1
InChIKey
PTRQWPFRPUQRDZ-SADCGLOJSA-N
Molecular formula
C17H24N8O4
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
2,6-diamino-9-[3'-(imidazol-1-yl)butyl-beta-D-ribofuranosyl]purine
IUPAC
(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-3-(4-imidazol-1-ylbutyl)oxolane-3,4-diol

Names & synonyms

PTRQWPFRPUQRDZ-SADCGLOJSA-N2,6-diamino-9-[3'-(imidazol-1-yl)butyl-beta-D-ribofuranosyl]purine

Database identifiers

PubChem CID
86756992

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
183 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
29

Related reactions

1 records
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Compound notes

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