[9,9'-Bianthracene]-2,2'-dicarboxylic acid,5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-


Chemical Name: [9,9'-Bianthracene]-2,2'-dicarboxylic acid,5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-
CAS Number: 128-57-4
Product Number: AG000XNT(AGN-PC-0PIT9C)
Synonyms:
MDL No:
Molecular Formula: C42H38O20
Molecular Weight: 862.7391

Identification/Properties


Computed Properties
Molecular Weight:
862.746g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
12
Hydrogen Bond Acceptor Count:
20
Rotatable Bond Count:
9
Exact Mass:
862.196g/mol
Monoisotopic Mass:
862.196g/mol
Topological Polar Surface Area:
348A^2
Heavy Atom Count:
62
Formal Charge:
0
Complexity:
1550
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
12
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:
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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