3BH
Summary
| Name: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Synonyms: | 8-aminoadenosine |
| Formula: | C10 H14 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 282.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 8-aminoadenosine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncnc1n(c2N)C3OC(C(O)C3O)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc2c(N)ncnc2n1[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | Nc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(c(n2)N)C3C(C(C(O3)CO)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | DVGWFQILDUEEGX-UUOKFMHZSA-N |
