2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-
Basic information
- CAS
137530-47-3- Standard SMILES
O=c1[nH]c(=O)n([C@H]2CS[C@@H](CO)O2)cc1Br- InChIKey
GMHAMEKOPZZEBD-RITPCOANSA-N- Molecular formula
- C8H9BrN2O4S
- Average molar mass
- 309.14 g/mol
- Monoisotopic mass
- 307.94664
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-
- IUPAC
- 5-bromo-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Names & synonyms
137530-47-32,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-5-Bromo-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidine-2,4(1H,3H)-dione5-bromo-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione(+)-(2S,5R)-5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracilOxathiolan, 5BrU-(+)-beta(+)-(2S,5R)-5-Bromo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]uracil5-Bromo-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-cis)-Oxathiolan, 5BrU-(+).b.CHEMBL327373DLS-044
Show more names
DTXSID601602302'-Deoxy-5-bromo-3'-thiauridine
Database identifiers
- CAS
137530-47-3- PubChem CID
- 455172
- DTXSID
DTXSID60160230- ChEMBL
CHEMBL327373- Nikkaji
- J558.730A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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