| CAS Number | 25130-29-4 |
| Catalog Number | AG002QKG(AGN-PC-0O898N) |
| Chemical Name | 5-Chlorocytidine |
| IUPAC Name | 4-amino-5-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| InChI | InChI=1S/C9H12ClN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 |
| InChI Key | LOFVQBRIYOQFDZ-UAKXSSHOSA-N |
| MDL Number | MFCD00612492 |
| Molecular Formula | C9H12ClN3O5 |
| Molecular Weight | 277.6617 |
| SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(Cl)c(nc1=O)N |
| Synonyms | 5-Chlorocytidine,
25130-29-4,
Cytidine, 5-chloro-(8CI,9CI),
5-chloro-cytidine,
SCHEMBL770116,
CTK4F5047,
Cytidine, 5-chloro- (8CI,9CI),
ZINC13547790,
AKOS027446345,
FT-0664607,
4-Amino-5-chloro-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one,
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| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.661g/mol |
| Monoisotopic Mass | 277.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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