Basic information
- CAS
119662-57-6- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1CCCl- InChIKey
HJBGHZTYMHLTCX-DJLDLDEBSA-N- Molecular formula
- C11H18ClN2O14P3
- Average molar mass
- 530.64 g/mol
- Monoisotopic mass
- 529.9659419
Names & identifiers
- Preferred name
- Uridine 5'-(tetrahydrogen triphosphate), 5-(2-chloroethyl)-2'-deoxy-
- IUPAC
- [[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
CEdUTP5-ClEt-2'-dUTP119662-57-6Uridine 5'-(tetrahydrogen triphosphate), 5-(2-chloroethyl)-2'-deoxy-5-(2-Chloroethyl)-2'-deoxyuridine-5'-triphosphateSCHEMBL1763353DTXSID501525435-(2-Chloroethyl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)Uridine 5'-(tetrahydrogen triphosphate), 5-(2-chloroethyl)-2'-deoxy- (9CI)[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Database identifiers
- CAS
119662-57-6- PubChem CID
- 451675
- DTXSID
DTXSID50152543
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 891
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…