| CAS Number | 182495-80-3 |
| Catalog Number | AG00AQN2(AGN-PC-0O5632) |
| Chemical Name | 2’-Deoxy-2’-fluoro-5-methylcytidine |
| IUPAC Name | 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one |
| InChI | InChI=1S/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6-,7-,9-/m1/s1 |
| InChI Key | QZZJZXAWLQYJFK-JXOAFFINSA-N |
| MDL Number | MFCD28342609 |
| Molecular Formula | C10H14FN3O4 |
| Molecular Weight | 259.2343 |
| SMILES | Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)nc1N |
| Synonyms | AC1NQP36,
SCHEMBL1061693,
2'-deoxy-2'-fluoro-5-methylcytidine,
AKOS030568235,
Cytidine, 2'-deoxy-2'-fluoro-5-methyl-,
5-methyl-2'-deoxy-2'-(R)-fluoro-cytidine,
J3.543.738J,
2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)-5-methyl-,
182495-80-3,
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one,
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one,
AIDS231710,
CID5276644,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.237g/mol |
| Monoisotopic Mass | 259.097g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number