| CAS Number | 72560-69-1 |
| Catalog Number | AG00FA0Z(AGN-PC-0OH507) |
| Chemical Name | 3-O-acetyl-2-deoxycytidine |
| IUPAC Name | [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate |
| InChI | InChI=1S/C11H15N3O5/c1-6(16)18-7-4-10(19-8(7)5-15)14-3-2-9(12)13-11(14)17/h2-3,7-8,10,15H,4-5H2,1H3,(H2,12,13,17)/t7-,8+,10+/m0/s1 |
| InChI Key | ATBRMDNADDOXDD-QXFUBDJGSA-N |
| MDL Number | MFCD00057458 |
| Molecular Formula | C11H15N3O5 |
| Molecular Weight | 269.2539 |
| SMILES | O=C1N([C@H]2C[C@H](OC(C)=O)[C@@H](CO)O2)C=CC(N)=N1 |
| Synonyms | 3'-O-Acetyl-2'-deoxycytidine,
72560-69-1,
SCHEMBL1763168,
ZINC4533800,
MFCD00057458,
C-44362,
(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate,
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| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.257g/mol |
| Monoisotopic Mass | 269.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
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Certificate of Analysis
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