5-(1-Chlorovinyl)-dUrd
Basic information
- CAS
69304-46-7- Standard SMILES
C=C(Cl)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
FQRIBMHYAICHAB-DJLDLDEBSA-N- Molecular formula
- C11H13ClN2O5
- Average molar mass
- 288.68 g/mol
- Monoisotopic mass
- 288.0512992
Names & identifiers
- Preferred name
- 5-(1-Chlorovinyl)-dUrd
- IUPAC
- 5-(1-chloroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
69304-46-75-(1-Chlorovinyl)-dUrdAC1LAOJCCHEMBL1162943SCHEMBL10400312DTXSID103329005-(1-Chlorovinyl)-2'-deoxyuridine5-(1-Chloroethenyl)-2'-deoxyuridine5-(1-Chloroethen-1-yl)-2'-deoxyuridine5-(1-chlorovinyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
69304-46-7- PubChem CID
- 472173
- DTXSID
DTXSID10332900- ChEMBL
CHEMBL1162943
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…