1-Benzopyrylium,2-(3,4-dihydroxy-5-methoxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride


Chemical Name: 1-Benzopyrylium,2-(3,4-dihydroxy-5-methoxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride
CAS Number: 6988-81-4
Product Number: AG00FDG7(AGN-PC-0TX59M)
Synonyms:
MDL No:
Molecular Formula: C22H23ClO12
Molecular Weight: 514.8638

Identification/Properties


Computed Properties
Molecular Weight:
514.864g/mol
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
5
Exact Mass:
514.088g/mol
Monoisotopic Mass:
514.088g/mol
Topological Polar Surface Area:
191A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
668
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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