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Basic information
- CAS
78336-03-5- Standard SMILES
O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1F- InChIKey
NGAZWYLTZGFZTP-UHFFFAOYSA-N- Molecular formula
- C10H13FN2O4
- Average molar mass
- 244.22 g/mol
- Monoisotopic mass
- 244.08593506
Names & identifiers
- Preferred name
- 5-Fluoro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
- IUPAC
- 5-fluoro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Names & synonyms
78336-03-5NSC309127DTXSID50999692NSC 309127NSC-3091275-Fluoro-4-hydroxy-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-, (1-alpha,3-beta,4-alpha)-(+-)-
Database identifiers
- CAS
78336-03-5- PubChem CID
- 100015
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
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Compound notes
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