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148565-57-5 | β-D-Glucopyranoside, undecyl 4-O-α-D-glucopyranosyl-1-thio-
CAS No: 148565-57-5 Catalog No: AG001L14 MDL No:
Product Description
Catalog Number:
AG001L14
Chemical Name:
β-D-Glucopyranoside, undecyl 4-O-α-D-glucopyranosyl-1-thio-
CAS Number:
148565-57-5
Molecular Formula:
C23H44O10S
Molecular Weight:
512.6545
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
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
SMILES:
CCCCCCCCCCCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
512.266g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
512.655g/mol
Monoisotopic Mass:
512.266g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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