Basic information
- CAS
4753-04-2- Standard SMILES
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Cl)c(=O)[nH]1- InChIKey
XOTUXDQKWDTKSI-XVFCMESISA-N- Molecular formula
- C9H11ClN2O5
- Average molar mass
- 262.65 g/mol
- Monoisotopic mass
- 262.0356491
Names & identifiers
- Preferred name
- 2'-Chloro-2'-deoxyuridine
- IUPAC
- 1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 2'-Chloro-2'-deoxyuridine
- Molecular formula
- C9H11ClN2O5
- Molecular weight
- 262.65
Names & synonyms
2'-Chloro-2'-deoxyuridine4753-04-22'-Deoxy-2'-chlorouridineRefChem:80220Uridine, 2'-chloro-2'-deoxy-2-CHLORO-2-DEOXYURIDINEMFCD000573791-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione1-((2R,3R,4R,5R)-3-Chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione2 inverted exclamation marka-Chloro-2 inverted exclamation marka-deoxyuridine2'-deoxy-2'-chloro-uridineSCHEMBL2892025
Show more names
2′-chloro-2′-deoxyuridine, CAS 4753-04-21-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
XOTUXDQKWDTKSI-XVFCMESISA-N2?-CHLORO-2?-DEOXYURIDINENC04257NSC 526746AC-32293SY333112DB-020771F12923
Database identifiers
- CAS
4753-04-2- PubChem CID
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 207 · 207-212 °C (decomp)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 9.39 · 9.39±0.10(Predicted)
- CAS DataBase Reference
- 4753 · 4753-04-2(CAS DataBase Reference)
Chemistry & industry
Applications
Uses2′-Chloro-2′-deoxyuridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
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Related reactions
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Compound notes
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