[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-


Chemical Name: [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-
CAS Number: 29106-49-8
Product Number: AG002XCK(AGN-PC-0R4TH5)
Synonyms:
MDL No:
Molecular Formula: C30H26O12
Molecular Weight: 578.5202

Identification/Properties


Computed Properties
Molecular Weight:
578.526g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
10
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
3
Exact Mass:
578.142g/mol
Monoisotopic Mass:
578.142g/mol
Topological Polar Surface Area:
221A^2
Heavy Atom Count:
42
Formal Charge:
0
Complexity:
925
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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