| CAS Number | 96964-90-8 |
| Catalog Number | AG0065P9(AGN-PC-0OOII7) |
| Chemical Name | 8-Benzyloxy-2'-deoxyguanosine |
| IUPAC Name | 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenylmethoxy-1H-purin-6-one |
| InChI | InChI=1S/C17H19N5O5/c18-16-20-14-13(15(25)21-16)19-17(26-8-9-4-2-1-3-5-9)22(14)12-6-10(24)11(7-23)27-12/h1-5,10-12,23-24H,6-8H2,(H3,18,20,21,25)/t10-,11+,12+/m0/s1 |
| InChI Key | AMEUNRVTNJBDJN-QJPTWQEYSA-N |
| MDL Number | MFCD03701133 |
| Molecular Formula | C17H19N5O5 |
| Molecular Weight | 373.3633 |
| SMILES | Nc1nc(=O)c2nc(OCc3ccccc3)n([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1 |
| Synonyms | 8-(benzyloxy)-2'-deoxyguanosine,
96964-90-8,
8-(benzyloxy)deoxyguanosine,
SCHEMBL2119536,
CHEMBL3143094,
AMEUNRVTNJBDJN-QJPTWQEYSA-N,
ZINC28222408,
FT-0662886,
Guanosine,2'-deoxy-8-(phenylmethoxy)-(9ci),
8-Benzyloxy-2 inverted exclamation mark -deoxyguanosine,
8-Benzyloxy-2'-deoxyguanosine,
8-Benzyloxy-2'-deoxy-D-guanosine,
CID11257306,
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenylmethoxy-3H-purin-6-one,
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| Complexity | 584 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.369g/mol |
| Monoisotopic Mass | 373.139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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