Sodium dodecyl sulfate-d25

Catalog	DGS110863246
CAS	110863-24-6
Structure
Synonyms	SDS-d25; Sodium Lauryl sulfate-d25; Dodecyl-d25 sulfate sodium salt
IUPAC Name	sodium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl sulfate
Molecular Weight	313.53
Molecular Formula	C12D25NaO4S
InChI	InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2;
InChI Key	DBMJMQXJHONAFJ-YCGROXIYSA-M
Melting Point	204-207 °C (lit.)
Density	>1.1 g/cm³ at 20 °C (lit.) (unlabeled)
Solubility	Soluble in water (200 mg/mL), and ethanol (10 mg/mL). (unlabeled)
Appearance	Powder
Complexity	249
EC Number	686-044-7
Exact Mass	313.29404338
Formal Charge	0
Heavy Atom Count	18
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])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OS(=O)(=O)[O-].[Na+]
MDL Number	MFCD00144219
Monoisotopic Mass	313.29404338
Rotatable Bond Count	12
Storage Conditions	Room temperature
Topological Polar Surface Area	74.8 Ų