5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
Basic information
- CAS
73149-18-5- Standard SMILES
CC1(C)OC2C(CF)OC(n3cc(Br)c(=O)[nH]c3=O)C2O1- InChIKey
VYLTYUOOSXBYHS-UHFFFAOYSA-N- Molecular formula
- C12H14BrFN2O5
- Average molar mass
- 365.15 g/mol
- Monoisotopic mass
- 364.00701
Names & identifiers
- Preferred name
- 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
- IUPAC
- 5-bromo-1-[6-(fluoromethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
Names & synonyms
NSC356697DTXSID20993884NSC-3566975-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
Database identifiers
- CAS
73149-18-5- PubChem CID
- 337725
- DTXSID
DTXSID20993884
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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