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82345-75-3 | beta-D-Glucopyranuronic acid, 1-(4-(2-(1H-imidazol-1-yl)ethoxy)benzoat e)
CAS No: 82345-75-3 Catalog No: AG00GCSE MDL No:
Product Description
Catalog Number:
AG00GCSE
Chemical Name:
beta-D-Glucopyranuronic acid, 1-(4-(2-(1H-imidazol-1-yl)ethoxy)benzoat e)
CAS Number:
82345-75-3
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxyoxane-2-carboxylic acid
InChI:
InChI=1S/C18H20N2O9/c21-12-13(22)15(16(24)25)28-18(14(12)23)29-17(26)10-1-3-11(4-2-10)27-8-7-20-6-5-19-9-20/h1-6,9,12-15,18,21-23H,7-8H2,(H,24,25)/t12-,13-,14+,15-,18-/m0/s1
InChI Key:
MHHJOLPETUEANO-GLRLOKQVSA-N
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
408.117g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
408.363g/mol
Monoisotopic Mass:
408.117g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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