Basic information
- CAS
90301-59-0- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCl- InChIKey
UUSHUCRHZYSZKI-DJLDLDEBSA-N- Molecular formula
- C11H15ClN2O5
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.06694926
Overview
5-(2-Chloroethyl)-2'-deoxyuridine is a pyrimidine 2'-deoxyribonucleoside.
Names & identifiers
- Preferred name
- 5-(2-Chloroethyl)-2'-deoxyuridine
- IUPAC
- 5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl ]pyrimidine-2,4-dione
- Molecular formula
- C11H15ClN2O5
- Molecular weight
- 290.7
Names & synonyms
5-(2-Chloroethyl)-2'-deoxyuridine90301-59-0H1SZ5QC7QD2'-deoxy-5-(2-chloroethyl)uridineUridine, 5-(2-chloroethyl)-2'-deoxy-DTXSID501034152RefChem:101598DTXCID301518837CEDU5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneCCRIS 2828BRN 5976898
Show more names
Uridine,5-(2-chloroethyl)-2'-deoxy- (9CI)5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl ]pyrimidine-2,4-dione
UNII-H1SZ5QC7QDSCHEMBL1627089CHEMBL2079575CHEBI:195580UUSHUCRHZYSZKI-DJLDLDEBSA-N5-(2-CHLOROETHYL)DEOXYURIDINEAKOS030239862"5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione"
Database identifiers
- CAS
90301-59-0- PubChem CID
- 514814
- DTXSID
DTXSID501034152
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 161 · 161-164 °C
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 9.24 · 9.24±0.10(Predicted)
- FDA UNII
- 1 SZ5QC7QD · H1SZ5QC7QD
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds that inhibit cell production of DNA or RNA.
Suppliers1 total
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Related reactions
2 records
Compound notes
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