BH3

hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate


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Chemical Component Summary

Namehydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
Identifiersoxidanyl-[(1R)-2-(3-pentadecylimidazol-3-ium-1-yl)-1-phosphono-ethyl]phosphinate
FormulaC20 H40 N2 O6 P2
Molecular Weight466.489
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-]
InChIInChI=1S/C20H40N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(29(23,24)25)30(26,27)28/h16-17,19-20H,2-15,18H2,1H3,(H3-,23,24,25,26,27,28)
InChIKeyVYLDLVZXAPQHHS-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count1
Bond Count70
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 137349007, 71624438
ChEMBL CHEMBL2338383