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Chemical structure of 2-Hydroxyisobutyric acid-d6

GC68519

2-Hydroxyisobutyric acid-d6

Also known as 3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propanoic acid

2-Hydroxyisobutyric acid-d6 is the deuterated form of 2-Hydroxyisobutyric acid· 2-Hydroxyisobutyric acid is an endogenous metabolic product

ChemicalCAS40662-45-1MW110.14FormulaC4H2D6O3
CAS number
40662-45-1
Molecular weight
110.14
Formula
C4H2D6O3
Solubility
DMSO : 100 mg/mL (907·94 mM; Need ultrasonic); DMSO : 100 mg/mL (907·94 mM; Need ultrasonic); H2O : ≥ 100 mg/mL (907·94 mM)
InChIKey
BWLBGMIXKSTLSX-WFGJKAKNSA-N
Catalogue number
GC68519
Brand
GLPBIO
Computed properties PubChem CID 10486812 · XLogP -0.4 · TPSA 57.5 Ų · H-bond donors 2
XLogP
-0.4
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
7

SMILES [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])O

Computed descriptors from PubChem (CID 10486812), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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