A1H8K

fluorinated fos-choline-8

Created:	2024-04-16
Last modified:	2025-03-26

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1 entries where A1H8K is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	50
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	0

2D diagram of A1H8K

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Chemical Component Summary
Name	fluorinated fos-choline-8
Synonyms	trimethyl-[2-[oxidanyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octoxy]phosphoryl]oxyethyl]azanium
Systematic Name (OpenEye OEToolkits)	trimethyl-[2-[oxidanyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octoxy]phosphoryl]oxyethyl]azanium
Formula	C₁₃ H₁₈ F₁₃ N O₄ P
Molecular Weight	530.239
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[N+](C)(C)CCO[P](O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)CCOP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES	CACTVS	3.385	C[N+](C)(C)CCO[P](O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)CCOP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI	InChI	1.06	InChI=1S/C13H17F13NO4P/c1-27(2,3)5-7-31-32(28,29)30-6-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h4-7H2,1-3H3/p+1
InChIKey	InChI	1.06	PNELEOXACJRMOZ-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	122404110

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