2SG
Summary
| Name: | guanosine phosphorodithioate |
| Formula: | C10 H16 N5 O6 P S2 |
| Formal charge: | 0 |
| Formula weight: | 397.368 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-O-[hydroxy(disulfanyl)-lambda~5~-phosphanyl]guanosine |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-[[oxidanyl-bis(sulfanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(O)(S)S |
| InChI | InChI | 1.03 | InChI=1S/C10H16N5O6PS2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(21-9)1-20-22(19,23)24/h2-3,5-6,9,16-17,19,22-24H,1H2,(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | QDXYMRDLKNFEJR-UUOKFMHZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[PH](O)(S)S)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[PH](O)(S)S)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1C3C(C(C(O3)COP(O)(S)S)O)O)N=C(NC2=O)N |
