RSX
Summary
Name: | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) |
Formula: | C8 H17 N O6 P2 |
Formal charge: | 0 |
Formula weight: | 285.171 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) |
OpenEye OEToolkits | 1.5.0 | [(4aS,7aR)-6-phosphono-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[b]pyridin-6-yl]phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)C2(CC1C(NCCC1)C2)P(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)C1(C[C@@H]2CCCN[C@@H]2C1)[P](O)(O)=O |
SMILES | CACTVS | 3.341 | O[P](O)(=O)C1(C[CH]2CCCN[CH]2C1)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CC2CC(CC2NC1)(P(=O)(O)O)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C8H17NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h6-7,9H,1-5H2,(H2,10,11,12)(H2,13,14,15)/t6-,7+/m0/s1 |
InChIKey | InChI | 1.03 | JWOKHNWVYMHFTC-NKWVEPMBSA-N |