SGP
Summary
| Name: | GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE |
| Formula: | C10 H12 N5 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 361.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,9-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-9-[(1R,3S,5R,6R,8R)-3-hydroxy-8-(hydroxymethyl)-3-sulfanylidene-2,4,7-trioxa-3$l^{5}-phosphabicyclo[3.3.0]octan-6-yl]-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC(=O)c4nc3)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[P@](O)(=S)O[C@@H]34 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[P](O)(=S)O[CH]34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3C4C(C(O3)CO)OP(=S)(O4)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1 |
| InChIKey | InChI | 1.03 | QZEROIIFJLCOOE-FHIGPPGSSA-N |
