Sodium hexadecanoate-d31

Catalog	DGS467235832
CAS	467235-83-2
Structure
Synonyms	Hexadecanoic-D31 acid,sodium salt
IUPAC Name	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
Molecular Weight	309.60
Molecular Formula	C16H2D31NaO2
InChI	InChI=1S/C16H32O2.Na/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	GGXKEBACDBNFAF-HXKBIXQXSA-M
Complexity	184
Exact Mass	309.41675363
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-].[Na+]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	309.41675363
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	408-35-5