| CAS Number | 123075-23-0 |
| Catalog Number | AG009EC4(AGN-PC-0PH2XN) |
| Chemical Name | 2’-Deoxyisocytidine |
| IUPAC Name | 2-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one |
| InChI | InChI=1S/C9H13N3O4/c10-9-11-7(15)1-2-12(9)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 |
| InChI Key | HPDXILRPBZRTHG-SHYZEUOFSA-N |
| MDL Number | MFCD25542464 |
| Molecular Formula | C9H13N3O4 |
| Molecular Weight | 227.2172 |
| SMILES | Nc1nc(=O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1 |
| Synonyms | 2'-Deoxyisocytidine,
123075-23-0,
MFCD25542464,
ZINC96031392,
AKOS027337508,
2/'-Deoxyisocytidine,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.22g/mol |
| Monoisotopic Mass | 227.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
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Certificate of Analysis
Lot Number