8AH
Summary
| Name: | 5'-O-(dihydroxyphosphanyl)-2,8-dimethyladenosine |
| Formula: | C12 H18 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 375.274 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,8-dimethyladenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2,8-dimethyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC1OC(n2c(C)nc3c(N)nc(C)nc32)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C12H18N5O7P/c1-4-14-10(13)7-11(15-4)17(5(2)16-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | YUHKBTJEYBIOJY-WOUKDFQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N)c2nc(C)n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |
| SMILES | CACTVS | 3.385 | Cc1nc(N)c2nc(C)n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(c2c(n1)n(c(n2)C)C3C(C(C(O3)COP(=O)(O)O)O)O)N |
