5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one


Chemical Name: 5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CAS Number: 17912-87-7
Product Number: AG007T30(AGN-PC-00TPOL)
Synonyms:
MDL No:
Molecular Formula: C21H20O12
Molecular Weight: 464.3763

Identification/Properties


Computed Properties
Molecular Weight:
464.379g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
3
Exact Mass:
464.095g/mol
Monoisotopic Mass:
464.095g/mol
Topological Polar Surface Area:
207A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
760
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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