b-D-Glucopyranosiduronic acid,4-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]phenyl


Chemical Name: b-D-Glucopyranosiduronic acid,4-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]phenyl
CAS Number: 158196-35-1
Product Number: AG00AQBH(AGN-PC-0Q7EWC)
Synonyms:
MDL No:
Molecular Formula: C21H20O11
Molecular Weight: 448.3769

Identification/Properties


Computed Properties
Molecular Weight:
448.38g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
4
Exact Mass:
448.101g/mol
Monoisotopic Mass:
448.101g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
693
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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