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148565-56-4 | β-D-Glucopyranoside, decyl 4-O-α-D-glucopyranosyl-1-thio-
CAS No: 148565-56-4 Catalog No: AG001L15 MDL No:MFCD01074975
Product Description
Catalog Number:
AG001L15
Chemical Name:
β-D-Glucopyranoside, decyl 4-O-α-D-glucopyranosyl-1-thio-
CAS Number:
148565-56-4
Molecular Formula:
C22H42O10S
Molecular Weight:
498.6279
MDL Number:
MFCD01074975
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
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
SMILES:
CCCCCCCCCCS[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:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
498.25g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
498.628g/mol
Monoisotopic Mass:
498.25g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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