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cyclohexyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate

HCID 76028283
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

1 records
New reaction record
HRID 191418 reaction equation
HRID 191418As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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