A1B9T
Summary
| Name: | [2-[2-(2-$l^{3}-oxidanylidene-5-methyl-4-oxidanylidene-4,5-dihydro-2~{H}-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
| Formula: | C10 H16 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 337.223 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-3-hydroxy-2-[2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido]propyl dihydrogen phosphate |
| OpenEye OEToolkits | 3.1.0.0 | [2-[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CN1C=C(C)C(=O)NC1=O)NC(CO)COP(=O)(O)O |
| InChI | InChI | 1.06 | InChI=1S/C10H16N3O8P/c1-6-2-13(10(17)12-9(6)16)3-8(15)11-7(4-14)5-21-22(18,19)20/h2,7,14H,3-5H2,1H3,(H,11,15)(H,12,16,17)(H2,18,19,20) |
| InChIKey | InChI | 1.06 | GBTVWYHTXPOXOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN(CC(=O)N[C@@H](CO)CO[P](O)(O)=O)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN(CC(=O)N[CH](CO)CO[P](O)(O)=O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=CN(C(=O)NC1=O)CC(=O)NC(CO)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=CN(C(=O)NC1=O)CC(=O)NC(CO)COP(=O)(O)O |
