3-(N-Morpholino)propanesulfonic acid-d15

Catalog	DGS1219799300
CAS	1219799-30-0
IUPAC Name	deuterio 1,1,2,2,3,3-hexadeuterio-3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propane-1-sulfonate
Molecular Weight	224.35
Molecular Formula	C7H15NO4S
InChI	InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)/i1D2,2D2,3D2,4D2,5D2,6D2,7D2/hD
InChI Key	DVLFYONBTKHTER-OTUIAQFOSA-N
Purity	97-98 atom % D
Complexity	227
Exact Mass	224.16633032
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	[2H]C1(C(OC(C(N1C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)O[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	224.16633032
Rotatable Bond Count	4
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	75.2 Ų
Unlabeled CAS	1132-61-2
XLogP3-AA	-3.1