5H-Benzocyclohepten-5-one,1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-


Chemical Name: 5H-Benzocyclohepten-5-one,1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-
CAS Number: 4670-05-7
Product Number: AG003URO(AGN-PC-0RULKG)
Synonyms:
MDL No:
Molecular Formula: C29H24O12
Molecular Weight: 564.4937

Identification/Properties


Properties
MP:
237-240℃ (dec.)(Solv: water (7732-18-5))
BP:
1003.9°C at 760mmHg
Storage:
Light sensitive;Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
564.499g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
2
Exact Mass:
564.127g/mol
Monoisotopic Mass:
564.127g/mol
Topological Polar Surface Area:
218A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
1060
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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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