| CAS Number | 143491-56-9 |
| Catalog Number | AG019ELV(AGN-PC-0PU4PJ) |
| Chemical Name | ((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate |
| IUPAC Name | [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate |
| InChI | InChI=1S/C12H16FN3O4S/c1-2-3-9(17)19-5-10-20-8(6-21-10)16-4-7(13)11(14)15-12(16)18/h4,8,10H,2-3,5-6H2,1H3,(H2,14,15,18)/t8-,10+/m0/s1 |
| InChI Key | DQXKOXQEQONOBG-WCBMZHEXSA-N |
| MDL Number | MFCD30185762 |
| Molecular Formula | C12H16FN3O4S |
| Molecular Weight | 317.3365 |
| SMILES | CCCC(=O)OC[C@H]1SC[C@H](O1)n1cc(F)c(=N)[nH]c1=O |
| Synonyms | 143491-56-9,
((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate,
SCHEMBL6836031,
MFCD30185762,
ZINC34648772,
FTC-butanoyl ester,
CID9797024,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.335g/mol |
| Monoisotopic Mass | 317.085g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number