P2T
Summary
| Name: | 2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE |
| Formula: | C13 H21 N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 380.288 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methyl-2'-O-propyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-4-propoxy-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)C2OCCC)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCO[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 | CCCO[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 | CCCO[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 | CCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H21N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | YCUXLAVNRCJWRL-DNRKLUKYSA-N |
