AWC
Summary
| Name: | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine |
| Formula: | C13 H15 N2 O7 P Se |
| Formal charge: | 0 |
| Formula weight: | 421.201 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxyphosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(OCC1OC(CC1O)N2C(=O)NC(=O)C(=C2)c3[se]ccc3)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H15N2O7PSe/c16-8-4-11(22-9(8)6-21-23(19)20)15-5-7(10-2-1-3-24-10)12(17)14-13(15)18/h1-3,5,8-9,11,16,23H,4,6H2,(H,19,20)(H,14,17,18)/t8-,9+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | WYJQDKVLIYFCFU-IQJOONFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[PH](O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1CO[PH](O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc([se]c1)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)O)O |
