Chemical Component Summary

Namehydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
Identifiersoxidanyl-[(1R)-1-oxidanyl-2-(3-pentadecylimidazol-3-ium-1-yl)-1-phosphono-ethyl]phosphinate
FormulaC20 H40 N2 O7 P2
Molecular Weight482.488
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-]
InChIInChI=1S/C20H40N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(23,30(24,25)26)31(27,28)29/h16-17,19,23H,2-15,18H2,1H3,(H3-,24,25,26,27,28,29)
InChIKeyBWBSGQBVVSKFMY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count1
Bond Count71
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 71624187, 137349008
ChEMBL CHEMBL2338367