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181135-57-9 | β-D-Glucopyranoside, 4-cyclohexylbutyl 4-O-α-D-glucopyranosyl-
CAS No: 181135-57-9 Catalog No: AG0022PW MDL No:
Product Description
Catalog Number:
AG0022PW
Chemical Name:
β-D-Glucopyranoside, 4-cyclohexylbutyl 4-O-α-D-glucopyranosyl-
CAS Number:
181135-57-9
Molecular Formula:
C22H40O11
Molecular Weight:
480.5464
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(4-cyclohexylbutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChI Key:
JRNQXDHDSXBSFV-WXFJLFHKSA-N
SMILES:
OC[C@H]1O[C@@H](OCCCCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
480.257g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
480.551g/mol
Monoisotopic Mass:
480.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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