6F7
Summary
| Name: | 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) |
| Formula: | C10 H15 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 322.208 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 2.0.4 | [(2~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(C1C(CC(O1)COP(O)(O)=O)O)C(=O)NC(C(=C2)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-8(5)14)9-7(13)2-6(20-9)4-19-21(16,17)18/h3,6-7,9,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | NZONAJJJGMXZKE-LKEWCRSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)C[C@H]2O)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN([CH]2O[CH](CO[P](O)(O)=O)C[CH]2O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1=CN(C(=O)NC1=O)C2C(CC(O2)COP(=O)(O)O)O |
