O2G
Summary
| Name: | 2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINE |
| Formula: | C12 H18 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 375.274 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-N,N-dimethylguanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-5-(2-dimethylamino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)C1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.352 | CN(C)C1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)C1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C12H18N5O7P/c1-16(2)12-14-10-9(11(19)15-12)13-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,3-4H2,1-2H3,(H,14,15,19)(H2,20,21,22)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | CAVFKMBOCISJHQ-XLPZGREQSA-N |
