2-Aminopurine-9-beta-d-(2'-deoxy-2'-fluoro)arabino-riboside (HCID 19934353)

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ncc2ncn(C3OC(CO)C(O)C3F)c2n1
InChIKey: REZWVJHKIBWHOX-UHFFFAOYSA-N
Molecular formula: C10H12FN5O3
Average molar mass: 269.23 g/mol
Monoisotopic mass: 269.09241742

Names & identifiers

Preferred name: 2-Aminopurine-9-beta-d-(2'-deoxy-2'-fluoro)arabino-riboside
IUPAC: 5-(2-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Names & synonyms

134444-48-72-Aminopurine-9-beta-d-(2'-deoxy-2'-fluoro)arabino-riboside109304-04-3(2R,3R,4R,5R)-5-(2-amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol9H-Purin-2-amine, 9-(2-deoxy-2-fluoro-b-D-ribofuranosyl)-

Database identifiers

PubChem CID: 19934353

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 119 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 338

Related reactions

3 records

New reaction record

HRID 308237As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 665679As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2135923As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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