3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one


Chemical Name: 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
CAS Number: 15905-32-5
Product Number: AG001QG2(AGN-PC-0JK6HZ)
Synonyms:
MDL No: MFCD00005044
Molecular Formula: C20H8I4O5
Molecular Weight: 835.8924

Identification/Properties


Computed Properties
Molecular Weight:
835.897g/mol
XLogP3:
6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
835.655g/mol
Monoisotopic Mass:
835.655g/mol
Topological Polar Surface Area:
76A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
645
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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