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Chemical structure of (2R)-Octyl-α-hydroxyglutarate sodium

GC70234

(2R)-Octyl-α-hydroxyglutarate sodium

Also known as sodium (4R)-4-hydroxy-5-octoxy-5-oxopentanoate

(2R)-Octyl-α-hydroxyglutarate (sodium) is the sodium salt form of (2R)-Octyl-α-hydroxyglutarate

ChemicalCAS1391068-16-8MW282.31FormulaC13H23NaO5
CAS number
1391068-16-8
Molecular weight
282.31
Formula
C13H23NaO5
InChIKey
UZUHAPHNUWGBFM-RFVHGSKJSA-M
Catalogue number
GC70234
Brand
GLPBIO
Computed properties PubChem CID 71749053 · TPSA 86.7 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
86.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
19

SMILES CCCCCCCCOC(=O)[C@@H](CCC(=O)[O-])O.[Na+]

Computed descriptors from PubChem (CID 71749053), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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