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Compound
cyclohexyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
HCID
76028283
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Basic information
Standard SMILES
CC1OC(n2cc(F)c(NC(=O)OC3CCCCC3)nc2=O)C(O)C1O
InChIKey
PKNVPTBVNXPGRI-UHFFFAOYSA-N
Molecular formula
C16H22FN3O6
Average molar mass
371.36 g/mol
Names & identifiers
Preferred name
cyclohexyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
IUPAC
cyclohexyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Database identifiers
PubChem CID
76028283
Properties
Computed structural properties
XLogP
0.6
Topological polar surface area
121 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
633
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Related reactions
1 records
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As solvent
HRID
191418
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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