| CAS Number | 137017-45-9 |
| Catalog Number | AG0012PF(AGN-PC-0O1BWC) |
| Chemical Name | Cytidine, 2'-deoxy-5-formyl- |
| IUPAC Name | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C10H13N3O5/c11-9-5(3-14)2-13(10(17)12-9)8-1-6(16)7(4-15)18-8/h2-3,6-8,15-16H,1,4H2,(H2,11,12,17)/t6-,7+,8+/m0/s1 |
| InChI Key | QBADNGFALQJSIH-XLPZGREQSA-N |
| MDL Number | MFCD19980520 |
| Molecular Formula | C10H13N3O5 |
| Molecular Weight | 255.2273 |
| SMILES | OC[C@H]1O[C@@H](N2C=C(C=O)C(N)=NC2=O)C[C@@H]1O |
| Synonyms | 5-CHO-dC,
5-fC nucleoside,
5-formyl-2'-deoxycytidine,
Cytidine, 2'-deoxy-5-formyl-,
5-formyl-2'-deoxycytidine,
137017-45-9,
SCHEMBL529365,
CTK0B9288,
2'-deoxy-5-formyl-cytidine,
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| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.23g/mol |
| Monoisotopic Mass | 255.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
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Certificate of Analysis
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