75B
Summary
| Name: | 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) |
| Formula: | C13 H15 N2 O9 P Se |
| Formal charge: | 0 |
| Formula weight: | 453.2 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 2.0.5 | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(OCC1OC(C(C1O)O)N2C(NC(=O)C(=C2)c3ccc[se]3)=O)(O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H15N2O9PSe/c16-9-7(5-23-25(20,21)22)24-12(10(9)17)15-4-6(8-2-1-3-26-8)11(18)14-13(15)19/h1-4,7,9-10,12,16-17H,5H2,(H,14,18,19)(H2,20,21,22)/t7-,9-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | XPHVOCQWRLMUPG-UGKPPGOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc([se]c1)C2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)O)O)O |
