Sodium hexadecanoate-16,16,16-d3

Catalog	DGS347841376
CAS	347841-37-6
Structure
Synonyms	Sodium;16,16,16-trideuteriohexadecanoate
IUPAC Name	sodium;16,16,16-trideuteriohexadecanoate
Molecular Weight	281.43
Molecular Formula	C16H28D3NaO2
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;
InChI Key	GGXKEBACDBNFAF-NIIDSAIPSA-M
Purity	99 atom % D
Complexity	184
Exact Mass	281.24100475
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C([2H])([2H])CCCCCCCCCCCCCCC(=O)[O-].[Na+]
Isotopic Enrichment	99 atom % D
Monoisotopic Mass	281.24100475
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