Disodium 3,3'-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxypropanesulphonate)

Catalog Number	ACM67874628-1
CAS	67874-62-8
Structure
Synonyms	1-Propanesulfonic acid, 3,3'-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxy-, disodium salt
IUPAC Name	Disodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate
Molecular Weight	406.3
Molecular Formula	C10H16Na2O10S2
Canonical SMILES	C(C#CCOCC(CS(=O)(=O)[O-])O)OCC(CS(=O)(=O)[O-])O.[Na+].[Na+]
InChI	InChI=1S/C10H18O10S2.2Na/c11-9(7-21(13,14)15)5-19-3-1-2-4-20-6-10(12)8-22(16,17)18;/h9-12H,3-8H2,(H,13,14,15)(H,16,17,18);/q;2*+1/p-2
InChI Key	VTHDORBZEOUGAZ-UHFFFAOYSA-L
Purity	25%
Density	1.3820-1.3900(20°C)
Appearance	Liquid
Storage	Store in a dry, ventilated area
Exact Mass	405.99802761
Hydrogen-Bond Acceptor Count	10
Hydrogen-Bond Donor Count	2
Monoisotopic Mass	405.99802761
Rotatable-Bond Count	8
Topological Polar Surface Area	190 Ų

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