P1K

phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid

Created:	2019-08-16
Last modified:	2024-09-27

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1 entries where P1K is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	5

2D diagram of P1K

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Chemical Component Summary
Name	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
Systematic Name (OpenEye OEToolkits)	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
Formula	C₆ H₁₁ B F₃ N₄ O₇ P S
Molecular Weight	382.019
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18)
InChIKey	InChI	1.03	VRNTWRQJSAWSEY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146672963

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