2H-1-Benzopyran-2-one, 7-(b-D-glucopyranosyloxy)-4-(trifluoromethyl)-


Chemical Name: 2H-1-Benzopyran-2-one, 7-(b-D-glucopyranosyloxy)-4-(trifluoromethyl)-
CAS Number: 116981-86-3
Product Number: AG000DGL(AGN-PC-0P9SX7)
Synonyms:
MDL No: MFCD00037683
Molecular Formula: C16H15F3O8
Molecular Weight: 392.2807

Identification/Properties


Computed Properties
Molecular Weight:
392.283g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
3
Exact Mass:
392.072g/mol
Monoisotopic Mass:
392.072g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
595
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


NMR Spectrum


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