Home Other Building Blocks β-D-Glucopyranoside, octyl 4-O-α-D-glucopyranosyl-1-thio-

β-D-Glucopyranoside, octyl 4-O-α-D-glucopyranosyl-1-thio-

CAS No.:
148616-91-5
Catalog Number:
AG001L3L
Molecular Formula:
C20H38O10S
Molecular Weight:
470.5747
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Product Description
Catalog Number:
AG001L3L
Chemical Name:
β-D-Glucopyranoside, octyl 4-O-α-D-glucopyranosyl-1-thio-
CAS Number:
148616-91-5
Molecular Formula:
C20H38O10S
Molecular Weight:
470.5747
MDL Number:
MFCD09750647
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-octylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
InChI Key:
JHBBNAKIOKQRJS-NQXZFOFXSA-N
SMILES:
CCCCCCCCS[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:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
470.219g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
470.574g/mol
Monoisotopic Mass:
470.219g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties