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Chemical structure of Palmitic acid-d31 sodium

GC71864

Palmitic acid-d31 sodium

Also known as sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoate

Palmitic acid-d31 (sodium) is the deuterium labeled almitic acid

ChemicalCAS467235-83-2MW309.6FormulaC16D31NaO2
CAS number
467235-83-2
Molecular weight
309.6
Formula
C16D31NaO2
Solubility
DMSO ： 11·11 mg/mL (35·89 mM; ultrasonic and warming and adjust pH to 4 with HCl and heat to 60°C); H2O ： 0·1 mg/mL (0·32 mM; ultrasonic and warming and heat to 44°C)
InChIKey
GGXKEBACDBNFAF-HXKBIXQXSA-M
Catalogue number
GC71864
Brand
GLPBIO
Computed properties PubChem CID 118856076 · TPSA 40.1 Ų · H-bond donors 0 · H-bond acceptors 2
TPSA
40.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
14
Heavy atoms
19

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

Computed descriptors from PubChem (CID 118856076), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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