70U
Summary
| Name: | 5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE |
| Formula: | C12 H17 N2 O10 P S |
| Formal charge: | 0 |
| Formula weight: | 412.31 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(2-methoxy-2-oxoethyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| OpenEye OEToolkits | 1.5.0 | methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-pyrimidin-5-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)CC=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=S)NC1=O |
| SMILES | CACTVS | 3.341 | COC(=O)CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)CC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17N2O10PS/c1-22-7(15)2-5-3-14(12(26)13-10(5)18)11-9(17)8(16)6(24-11)4-23-25(19,20)21/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,26)(H2,19,20,21)/t6-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | RWXSPKNHAJLKOR-PNHWDRBUSA-N |
