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58163-18-1 | 1,3,5-Tris(β-D-glucopyranosyloxy)-2,4-diiodobenzene
CAS No: 58163-18-1 Catalog No: AG00F1KO MDL No:
Product Description
Catalog Number:
AG00F1KO
Chemical Name:
1,3,5-Tris(β-D-glucopyranosyloxy)-2,4-diiodobenzene
CAS Number:
58163-18-1
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[2,4-diiodo-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C24H34I2O18/c25-10-5(39-22-18(36)15(33)12(30)7(2-27)41-22)1-6(40-23-19(37)16(34)13(31)8(3-28)42-23)11(26)21(10)44-24-20(38)17(35)14(32)9(4-29)43-24/h1,7-9,12-20,22-24,27-38H,2-4H2/t7-,8-,9-,12-,13-,14-,15+,16+,17+,18-,19-,20-,22-,23-,24+/m1/s1
InChI Key:
UUBAKRZNODDPMY-XPYJTHOPSA-N
Properties
Complexity:
861
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
15
Defined Bond Stereocenter Count:
0
Exact Mass:
863.983g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
864.327g/mol
Monoisotopic Mass:
863.983g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
298A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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