(2S,3S,4S,5R,6R)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid


Chemical Name: (2S,3S,4S,5R,6R)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Number: 21967-41-9
Product Number: AG00I49P(AGN-PC-00NCX4)
Synonyms:
MDL No: MFCD00134418
Molecular Formula: C21H18O11
Molecular Weight: 446.3610

Identification/Properties


Computed Properties
Molecular Weight:
446.364g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
4
Exact Mass:
446.085g/mol
Monoisotopic Mass:
446.085g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
748
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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