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Maltotetraitol

CAS No.:
66767-99-5
Catalog Number:
AG0036Z4
Molecular Formula:
C23H42O20
Molecular Weight:
638.5676
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Product Description
Catalog Number:
AG0036Z4
Chemical Name:
Maltotetraitol
CAS Number:
66767-99-5
Molecular Formula:
C23H42O20
Molecular Weight:
638.5676
MDL Number:
MFCD00083651
IUPAC Name:
(2S,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
InChI:
InChI=1S/C24H44O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h6-39H,1-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1
InChI Key:
LUAHEUHBAZYUOI-KVXMBEGHSA-N
SMILES:
OCC(C(C(CO)O)OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O
UNII:
N6KU59R2R5
Properties
Complexity:
873  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
19  
Defined Bond Stereocenter Count:
0
Exact Mass:
668.238g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
21  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
668.595g/mol
Monoisotopic Mass:
668.238g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
359A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.5  
Literature
Title Journal
Structural evidence for a dominant role of nonpolar interactions in the binding of a transport/chemosensory receptor to its highly polar ligands. Biochemistry 20020122
Properties