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Chemical structure of Homovanillic acid sulfate-d3 sodium

GC75277

Homovanillic acid sulfate-d3 sodium

Also known as disodium;2-[4-sulfonatooxy-3-(trideuteriomethoxy)phenyl]acetate

Homovanillic acid sulfate-d3 (sodium) is the deuterium labeled Homovanillic acid sulfate sodium

ChemicalCAS1189690-01-4MW309.22FormulaC9H5D3Na2O7S
CAS number
1189690-01-4
Molecular weight
309.22
Formula
C9H5D3Na2O7S
InChIKey
FDMIPKNBTWHXSQ-GXXYEPOPSA-L
Catalogue number
GC75277
Brand
GLPBIO
Computed properties PubChem CID 45039387 · TPSA 124 Ų · H-bond donors 0 · H-bond acceptors 7
TPSA
124 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
19

SMILES [2H]C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Computed descriptors from PubChem (CID 45039387), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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