P1G
Summary
| Name: | ((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID |
| Synonyms: | GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE |
| Formula: | C12 H16 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 389.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2',3'-O-[(1R)-2-phosphonoethylidene]guanosine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)CP(=O)(O)O)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[C@@H](C[P](O)(O)=O)O[C@@H]34 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[CH](C[P](O)(O)=O)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[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3C4C(C(O3)CO)OC(O4)CP(=O)(O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H16N5O8P/c13-12-15-9-6(10(19)16-12)14-3-17(9)11-8-7(4(1-18)23-11)24-5(25-8)2-26(20,21)22/h3-5,7-8,11,18H,1-2H2,(H2,20,21,22)(H3,13,15,16,19)/t4-,5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | HYAPEMYRVFIHDJ-QWEIRQIHSA-N |
