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130421-98-6 | 2-iodobenzyl-1-thiocellobioside
CAS No: 130421-98-6 Catalog No: AG00AI8Z MDL No:
Product Description
Catalog Number:
AG00AI8Z
Chemical Name:
2-iodobenzyl-1-thiocellobioside
CAS Number:
130421-98-6
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C19H27IO10S/c20-9-4-2-1-3-8(9)7-31-19-16(27)14(25)17(11(6-22)29-19)30-18-15(26)13(24)12(23)10(5-21)28-18/h1-4,10-19,21-27H,5-7H2/t10-,11-,12-,13+,14-,15-,16-,17-,18+,19+/m1/s1
InChI Key:
JOXGWIRIPPTAJL-KQDSVYJTSA-N
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
574.037g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
574.379g/mol
Monoisotopic Mass:
574.037g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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