NRI
Summary
| Name: | PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER |
| Formula: | C5 H12 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 197.126 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(3R,4R)-4-hydroxypyrrolidin-3-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(3R,4R)-4-hydroxypyrrolidin-3-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC1CNCC1O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1CNC[C@@H]1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1CNC[CH]1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](CN1)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(CN1)O)COP(=O)(O)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)/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | DZBMWXHITVAZTC-UHNVWZDZSA-N |
