3D1
(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
Find entries where: 3D1
is present as a standalone ligand in 11 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
is present in a polymer sequence 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol |
| Synonyms | 2'-DEOXYADENOSINE |
| Identifiers | (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Formula | C10 H13 N5 O3 |
| Molecular Weight | 251.242 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N |
| InChI | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 |
| InChIKey | OLXZPDWKRNYJJZ-RRKCRQDMSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 31 |
| Chiral Atom Count | 3 |
| Bond Count | 33 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 13730 |
| ChEMBL | CHEMBL449329 |
| ChEBI | CHEBI:17256 |
| CCDC/CSD | DOXADM02, CEZBIS, DOXADM03 |
| COD | 4024781 |
