b-D-Glucopyranosiduronic acid,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl


Chemical Name: b-D-Glucopyranosiduronic acid,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
CAS Number: 29741-09-1
Product Number: AG002Z99(AGN-PC-0R57L2)
Synonyms:
MDL No:
Molecular Formula: C21H18O11
Molecular Weight: 446.3610

Identification/Properties


Properties
BP:
841.8°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
446.364g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
4
Exact Mass:
446.085g/mol
Monoisotopic Mass:
446.085g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
746
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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