Decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside

Catalog Number	ACM148565564-1
CAS	148565-56-4
Structure
Synonyms	Decyl-β-d-1-thiomaltopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-Decylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	498.6
Molecular Formula	C22H42O10S
Canonical SMILES	CCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI	InChI=1S/C22H42O10S/c1-2-3-4-5-6-7-8-9-10-33-22-19(29)17(27)20(14(12-24)31-22)32-21-18(28)16(26)15(25)13(11-23)30-21/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1
InChI Key	YZNNXXWNKQOETJ-HYLFJBCQSA-N
Purity	95%+
Complexity	529
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Exact Mass	498.24986871
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCS[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	498.24986871
Rotatable Bond Count	14
Topological Polar Surface Area	195 Ų

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Decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside (148565-56-4)

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