NR1
Summary
| Name: | (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium |
| Formula: | C5 H13 N O5 P |
| Formal charge: | 1 |
| Formula weight: | 198.134 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium |
| OpenEye OEToolkits | 1.9.2 | [(3R,4R)-4-oxidanylpyrrolidin-1-ium-3-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(O)(O)(=O)OCC1C(C[NH2+]C1)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/p+1/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | DZBMWXHITVAZTC-UHNVWZDZSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[NH2+]C[C@@H]1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[NH2+]C[CH]1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(C(C[NH2+]1)O)COP(=O)(O)O |
