Undecyl beta-D-thiomaltopyranoside

Catalog Number	ACM148565575
CAS	148565-57-5
Structure
Synonyms	Indolyl -1,3-diacetate
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-undecylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	512.7
Molecular Formula	C23H44O10S
Canonical SMILES	CCCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI	InChI=1S/C23H44O10S/c1-2-3-4-5-6-7-8-9-10-11-34-23-20(30)18(28)21(15(13-25)32-23)33-22-19(29)17(27)16(26)14(12-24)31-22/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23+/m1/s1
InChI Key	SQISXDUZDUDUNY-GNKAUAAYSA-N
Purity	98%+
Complexity	544
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Exact Mass	512.26551877
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Monoisotopic Mass	512.26551877
Physical State	Solid
Rotatable Bond Count	15
Topological Polar Surface Area	195 Ų

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Undecyl beta-D-thiomaltopyranoside (148565-57-5)

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