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Chemical structure of p-Cresol sulfate-d7 potassium

GC70325

p-Cresol sulfate-d7 potassium

Also known as potassium [2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl] sulfate

p-Cresol sulfate-d7 (potassium) is the deuterium labeled p-Cresyl sulfate potassium· p-Methylphenyl potassium sulfate is a prototype protein-bound uremic toxin

ChemicalCAS2469278-96-2MW233.33FormulaC7D7KO4S
CAS number
2469278-96-2
Molecular weight
233.33
Formula
C7D7KO4S
InChIKey
HTSFIPMTBJHYFQ-ANHTTWOXSA-M
Catalogue number
GC70325
Brand
GLPBIO
Computed properties PubChem CID 139024080 · TPSA 74.8 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
74.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

SMILES [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])OS(=O)(=O)[O-])[2H].[K+]

Computed descriptors from PubChem (CID 139024080), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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