A1IT4
Summary
| Name: | 1-(beta-D-Ribofuranosyl)cyanuric acid-5'-monophosphate |
| Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate ((2R,3S,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3,5-triazinan-1-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate |
| Formula: | C8 H12 N3 O10 P |
| Formal charge: | 0 |
| Formula weight: | 341.169 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12N3O10P/c12-3-2(1-20-22(17,18)19)21-5(4(3)13)11-7(15)9-6(14)10-8(11)16/h2-5,12-13H,1H2,(H2,17,18,19)(H2,9,10,14,15,16)/t2-,3-,4-,5-/m1/s1 |
| InChIKey | InChI | 1.06 | AEXLPCNSEAEGAT-TXICZTDVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(O1)N2C(=O)NC(=O)NC2=O)O)O)OP(=O)(O)O |
