Basic information
- CAS
97975-05-8- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCCl- InChIKey
NRZOXEUJFYCPSL-IVZWLZJFSA-N- Molecular formula
- C12H17ClN2O5
- Average molar mass
- 304.72 g/mol
- Monoisotopic mass
- 304.0825993
Names & identifiers
- Preferred name
- 5-(3-Chloropropyl)-2'-deoxyuridine
- IUPAC
- 5-(3-chloropropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
97975-05-85-(3-Chloropropyl)-2'-deoxyuridine5-(3-Chloropropyl)-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneCCRIS 2830CHEMBL3144374DTXSID002433545-(3-Chloro-propyl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione5-(3-chloropropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
97975-05-8- PubChem CID
- 152162
- DTXSID
DTXSID00243354- ChEMBL
CHEMBL3144374- Nikkaji
- J588.007F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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