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Compound
5-(6-Ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
HCID
19934358
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Basic information
Standard SMILES
CCOc1ncnc2c1ncn2C1OC(CO)C(O)C1F
InChIKey
OTWGTLSBQTZYQK-UHFFFAOYSA-N
Molecular formula
C12H15FN4O4
Average molar mass
298.27 g/mol
Names & identifiers
Preferred name
5-(6-Ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
IUPAC
5-(6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Database identifiers
PubChem CID
19934358
Properties
Computed structural properties
XLogP
1
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
366
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Related reactions
1 records
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As solvent
HRID
282369
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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