8AN
Summary
| Name: | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) |
| Formula: | C10 H15 N6 O6 P |
| Formal charge: | 0 |
| Formula weight: | 346.236 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)N)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | WIVGZDLLXCRANL-QYYRPYCUSA-N |
