6SX
Summary
| Name: | Purine riboside-3',5'-cyclic monophosphate |
| Synonyms: | cPuMP |
| Formula: | C10 H11 N4 O6 P |
| Formal charge: | 0 |
| Formula weight: | 314.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2-oxidanyl-2-oxidanylidene-6-purin-9-yl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | AVSJXTVPIHQRPY-FDDDBJFASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4cncnc34 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O |
