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Chemical structure of 3-Methyl-2-oxovaleric acid-d8 sodium

GC76856

3-Methyl-2-oxovaleric acid-d8 sodium

Also known as sodium 4,4,5,5,5-pentadeuterio-2-oxo-3-(trideuteriomethyl)pentanoate

3-Methyl-2-oxovaleric acid-d8 (sodium) is the deuterium labeled 3-Methyl-2-oxovaleric acid

ChemicalCAS1795037-03-4MW160.17FormulaC6HD8NaO3
CAS number
1795037-03-4
Molecular weight
160.17
Formula
C6HD8NaO3
Solubility
DMSO： 100 mg/mL (624·34 mM; Need ultrasonic)
InChIKey
SMDJDLCNOXJGKC-FIRJCWQZSA-M
Catalogue number
GC76856
Brand
GLPBIO
Computed properties PubChem CID 71750590 · TPSA 57.2 Ų · H-bond donors 0 · H-bond acceptors 3
TPSA
57.2 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
10

SMILES [2H]C([2H])([2H])C(C(=O)C(=O)[O-])C([2H])([2H])C([2H])([2H])[2H].[Na+]

Computed descriptors from PubChem (CID 71750590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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