5GS
Summary
| Name: | 2'-C-methyluridine 5'-(trihydrogen diphosphate) |
| Formula: | C10 H16 N2 O12 P2 |
| Formal charge: | 0 |
| Formula weight: | 418.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-C-methyluridine 5'-(trihydrogen diphosphate) |
| OpenEye OEToolkits | 1.9.2 | [(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)(C2O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O12P2/c1-10(16)7(14)5(4-22-26(20,21)24-25(17,18)19)23-8(10)12-3-2-6(13)11-9(12)15/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | LFWWNDZBFDONAW-VPCXQMTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(O)[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | C[C]1(O)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O |
