ME6
Summary
| Name: | [(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C10 H17 N3 O7 P |
| Formal charge: | 1 |
| Formula weight: | 322.232 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | C[N+]1=C(N)C=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C1=O |
| SMILES | CACTVS | 3.352 | C[N+]1=C(N)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | C[N+]1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H16N3O7P/c1-12-8(11)2-3-13(10(12)15)9-4-6(14)7(20-9)5-19-21(16,17)18/h2-3,6-7,9,11,14H,4-5H2,1H3,(H2,16,17,18)/p+1/t6-,7+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | SXDBYGVVLMSJDZ-LKEWCRSYSA-O |
