2BT
Summary
| Name: | 2'-O-BUTYL-THYMIDINE |
| Synonyms: | 2'-O-BUTYL-5-METHYLURIDINE |
| Formula: | C14 H23 N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 394.314 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-4-butoxy-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | CCCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | WSAMAMLAATZRPR-PRULPYPASA-N |
