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9-(2-Hydroxymethyl-1-cyclobutyl)adenine (HCID 19794260)|Huagongshe
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Compound
9-(2-Hydroxymethyl-1-cyclobutyl)adenine
HCID
19794260
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Nc1ncnc2c1ncn2C1CCC1CO
InChIKey
CNCYBSHSXAUTJK-UHFFFAOYSA-N
Molecular formula
C10H13N5O
Average molar mass
219.24 g/mol
Names & identifiers
Preferred name
9-(2-Hydroxymethyl-1-cyclobutyl)adenine
IUPAC
[2-(6-aminopurin-9-yl)cyclobutyl]methanol
Names & synonyms
SCHEMBL600094
CNCYBSHSXAUTJK-UHFFFAOYSA-N
9-(2-hydroxymethyl-1-cyclobutyl)adenine
Database identifiers
PubChem CID
19794260
Properties
Computed structural properties
XLogP
0
Topological polar surface area
89.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
264
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Show all 8 / 8
Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
5954
As product
uspto-grants-1993_09
HRID
465749
As product
uspto-grants-1992_10
HRID
681449
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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