44A
Summary
| Name: | 9-beta-D-ribofuranuronosyl-9H-purin-6-amine |
| Formula: | C10 H11 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 281.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 9-(beta-D-ribofuranuronosyl)-9H-purin-6-amine |
| OpenEye OEToolkits | 1.7.0 | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(O)=O |
| SMILES | CACTVS | 3.370 | Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | IBYWUFHJUDTSOC-SOVPELCUSA-N |
