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

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

CAS No.:
148565-55-3
Catalog Number:
AG001L16
Molecular Formula:
C21H40O10S
Molecular Weight:
484.6013
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Product Description
Catalog Number:
AG001L16
Chemical Name:
β-D-Glucopyranoside, nonyl 4-O-α-D-glucopyranosyl-1-thio-
CAS Number:
148565-55-3
Molecular Formula:
C21H40O10S
Molecular Weight:
484.6013
MDL Number:
MFCD00674538
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-nonylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C21H40O10S/c1-2-3-4-5-6-7-8-9-32-21-18(28)16(26)19(13(11-23)30-21)31-20-17(27)15(25)14(24)12(10-22)29-20/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21+/m1/s1
InChI Key:
AFOMEWLJBOWKCP-OHQXVXRSSA-N
SMILES:
CCCCCCCCCS[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
EC Number:
604-641-2
Properties
Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
484.234g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
484.601g/mol
Monoisotopic Mass:
484.234g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties