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Chemical structure of 4-Pyridoxic acid-d3

GC74898

4-Pyridoxic acid-d3

Also known as 3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carboxylic acid

4-Pyridoxic acid-d3 is the deuterium labeled 4-Pyridoxic acid

ChemicalCAS1435934-03-4MW186.18FormulaC8H6D3NO4
CAS number
1435934-03-4
Molecular weight
186.18
Formula
C8H6D3NO4
Solubility
DMSO: 5 mg/mL (26·86 mM; Need ultrasonic and warming)
InChIKey
HXACOUQIXZGNBF-FIBGUPNXSA-N
Catalogue number
GC74898
Brand
GLPBIO
Computed properties PubChem CID 117064439 · XLogP 0.1 · TPSA 90.7 Ų · H-bond donors 3
XLogP
0.1
TPSA
90.7 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

SMILES [2H]C([2H])([2H])C1=NC=C(C(=C1O)C(=O)O)CO

Computed descriptors from PubChem (CID 117064439), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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