| CAS Number | 359436-55-8 |
| Catalog Number | AG007D95(AGN-PC-0JEKS9) |
| Chemical Name | Isoguanosine |
| IUPAC Name | 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one;hydrate |
| InChI | InChI=1S/C10H13N5O5.H2O/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9;/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);1H2 |
| InChI Key | XJFGKAOCZWFNPZ-UHFFFAOYSA-N |
| MDL Number | MFCD01863406 |
| Molecular Formula | C10H15N5O6 |
| Molecular Weight | 301.2560 |
| SMILES | NC(C1=C(N2)N(C=N1)[C@@H]([C@H](O)[C@@H]3O)O[C@@H]3CO)=NC2=O.O |
| Synonyms | Isoguanosine Hydrate,
Isoguanosine hydrate(1:x),
359436-55-8,
CTK8F1207,
AKOS030239744,
FT-0670463,
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one;hydrate,
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| Complexity | 544 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.259g/mol |
| Monoisotopic Mass | 301.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 154A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number