Potassium octadecanoate-d35

Catalog	DGS352438892
CAS	352438-89-2
Structure
Synonyms	POTASSIUM OCTADECANOATE-D35
IUPAC Name	potassium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoate
Molecular Weight	357.78
Molecular Formula	C18D35KO2
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChI	InChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2;
InChI Key	ANBFRLKBEIFNQU-FQJQGIECSA-M
Purity	98 atom % D
Complexity	207
Exact Mass	357.44709795
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric 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([2H])([2H])C([2H])([2H])C(=O)[O-].[K+]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	357.44709795
Rotatable Bond Count	16
Stability	Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions	Room temperature
Topological Polar Surface Area	40.1 Ų
Unlabeled CAS	593-29-3