1-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-fluoropyrimidine-2,4-dione
Basic information
- CAS
78336-05-7- Standard SMILES
O=c1[nH]c(=O)n(C2CC(CO)C(O)C2O)cc1F- InChIKey
IXEMCZVSTHJQAY-UHFFFAOYSA-N- Molecular formula
- C10H13FN2O5
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.08084968
Names & identifiers
- Preferred name
- 1-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-fluoropyrimidine-2,4-dione
- IUPAC
- 1-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-fluoropyrimidine-2,4-dione
Names & synonyms
NSC30912678336-05-7CHEMBL11249SCHEMBL29325519DTXSID40316955NSC-3091261-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-fluoropyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
78336-05-7- PubChem CID
- 328835
- DTXSID
DTXSID40316955- ChEMBL
CHEMBL11249
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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