1-[3-Chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic information
- CAS
54898-34-9- Standard SMILES
Cc1cn(C2OC(CO)C(O)C2Cl)c(=O)[nH]c1=O- InChIKey
WQMQACLYZYXSDZ-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O5
- Average molar mass
- 276.67 g/mol
- Monoisotopic mass
- 276.0512992
Names & identifiers
- Preferred name
- 1-[3-Chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- IUPAC
- 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 2'-chlorothymidine
- Molecular formula
- C10H13ClN2O5
- Molecular weight
- 276.67
Names & synonyms
1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneDTXSID509702241-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC529514NSC-5295141-(2-Chloro-2-deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-oneNSC 5295142’-Chlorothymidine2'-chlorothymidine2'-Chloro-2'-deoxythymidine2'-Deoxy-2'-chloro-5-methyluridine2'-Chloro-2'-deoxy-5-methyluridine
Show more names
Uridine, 2'-chloro-2'-deoxy-5-methyl-2’-Chloro-2’-deoxy-5-methyluridine, 2’-Chlorothymidine1-(3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
54898-34-9- PubChem CID
- 352991
- DTXSID
DTXSID50970224
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Density
- 1.596 · 1.596±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.638 · 9.638±0.10(predicted)
Chemistry & industry
Applications
Uses2’-Chlorothymidine is a thymidine analogue. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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