Sodium n-octyl-d17 sulfate

Catalog	DGS1219802160
CAS	1219802-16-0
IUPAC Name	sodium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl sulfate
Molecular Weight	249.37
Molecular Formula	C8D17NaO4S
InChI	InChI=1S/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2;
InChI Key	WFRKJMRGXGWHBM-DWZFKBFMSA-M
Complexity	198
Exact Mass	249.18122916
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
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])OS(=O)(=O)[O-].[Na+]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	249.18122916
Rotatable Bond Count	8
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	74.8 Ų
Unlabeled CAS	142-31-4