| CAS Number | 698999-09-6 |
| Catalog Number | AG005T25(AGN-PC-0TX7EZ) |
| Chemical Name | 5'-CHLORO-5'-DEOXYADENOSINE HYDRATE |
| IUPAC Name | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol;hydrate |
| InChI | InChI=1S/C10H12ClN5O3.H2O/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16;/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14);1H2/t4-,6-,7-,10-;/m1./s1 |
| InChI Key | XFACRIDKAAYORV-MCDZGGTQSA-N |
| MDL Number | MFCD00049038 |
| Molecular Formula | C10H14ClN5O4 |
| Molecular Weight | 303.7023 |
| SMILES | O[C@H]1[C@@H](O)[C@H](N2C=NC3=C(N)N=CN=C32)O[C@@H]1CCl.O |
| Synonyms | 5'-Chloro-5'-deoxyadenosine hydrate,
698999-09-6,
CTK5D1529,
DTXSID00584239,
5-Chloro-5-deoxyadenosine hydrate,97%,
5'-chloro-5'-deoxyadenosine monohydrate,
5'-Chloro-5'-deoxyadenosine hydrate, 97%,
RT-009969,
5'-Chloro-5'-deoxyadenosine--water (1/1),
5 inverted exclamation marka-Chloro-5 inverted exclamation marka-deoxyadenosine hydrate,
5/'-Chloro-5/'-deoxyadenosine--water (1/1),
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.703g/mol |
| Monoisotopic Mass | 303.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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