Sotradecol

Catalog Number	ACM139888-1
CAS	139-88-8
Structure
Synonyms	7-Ethyl-2-methyl-4-undecanol (sulfuric acid sodium) salt
IUPAC Name	Sodium;(7-ethyl-2-methylundecan-4-yl) sulfate
Molecular Weight	316.43
Molecular Formula	C14H29NaO4S
Canonical SMILES	CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1
InChI Key	FVEFRICMTUKAML-UHFFFAOYSA-M
Purity	95%+
Complexity	312
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	316.16842486
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	316.16842486
Rotatable Bond Count	11
Topological Polar Surface Area	74.8 Ų

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