11P
Summary
| Name: | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) |
| Formula: | C9 H13 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 309.15 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methanediyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | [[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-hydroxy-phosphono-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(C2c1c(ccnc1)CC2)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC([C@@H]1CCc2ccncc12)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | OC([CH]1CCc2ccncc12)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cncc2c1CCC2C(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO7P2/c11-9(18(12,13)14,19(15,16)17)8-2-1-6-3-4-10-5-7(6)8/h3-5,8,11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | WBALRBOBYFLYPZ-MRVPVSSYSA-N |
