U31
Summary
| Name: | 2'-O-3-AMINOPROPYL 2'-DEOXYURIDINE-5'-MONOPHOSPHATE |
| Formula: | C12 H20 N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 381.276 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-O-(3-aminopropyl)uridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-4-(3-aminopropoxy)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2OCCCN)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | NCCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCCN |
| InChI | InChI | 1.03 | InChI=1S/C12H20N3O9P/c13-3-1-5-22-10-9(17)7(6-23-25(19,20)21)24-11(10)15-4-2-8(16)14-12(15)18/h2,4,7,9-11,17H,1,3,5-6,13H2,(H,14,16,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | BYBLQLKEQYUZOM-QCNRFFRDSA-N |
