Potassium hexadecanoate-d31

Catalog	DGS63074475
CAS	63074-47-5
Structure
Synonyms	Potassium palmitate-D31
IUPAC Name	potassium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoate
Molecular Weight	325.70
Molecular Formula	C16D31KO2
InChI	InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2;
InChI Key	MQOCIYICOGDBSG-HXKBIXQXSA-M
Purity	98 atom % D
Complexity	184
EC Number	694-060-0
Exact Mass	325.39069084
Formal Charge	0
Heavy Atom Count	19
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(=O)[O-].[K+]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	325.39069084
Rotatable Bond Count	14
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	2624-31-9