G2S
Summary
| Name: | GUANOSINE-5'-DITHIOPHOSPHORATE |
| Formula: | C10 H14 N5 O5 P S2 |
| Formal charge: | 0 |
| Formula weight: | 379.352 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5'-O-[(dithiophosphono)]guanosine |
| OpenEye OEToolkits | 1.5.0 | 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=S)(O)S |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@@](O)(S)=S)O3 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(S)=S)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3CC(C(O3)COP(=S)(O)S)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O5PS2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | UTBRJOFAELGXIG-KVQBGUIXSA-N |
