N-octyl-beta-D-thiogalactopyranoside

Catalog Number	ACM42891167
CAS	42891-16-7
Structure
Synonyms	Octyl β-D-thiogalactopyranoside
IUPAC Name	(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Molecular Weight	308.44
Molecular Formula	C14H28O5S
Canonical SMILES	CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O
InChI	InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14+/m1/s1
InChI Key	CGVLVOOFCGWBCS-HTOAHKCRSA-N
Purity	95%+
Complexity	254
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	308.16574516
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Monoisotopic Mass	308.16574516
Rotatable Bond Count	9
Topological Polar Surface Area	115 Ų

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N-octyl-beta-D-thiogalactopyranoside (42891-16-7)

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