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3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Cat. No.: PI111957483

Product Details Computed Properties

CAS	111957-48-3
Synonyms	4H-1-Benzopyran-4-one,3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
Molecular Formula	C36H36O17
Molecular Weight	740.66
Density	1.68±0.1 g/cm3
Melting Point	195 °C
Boiling Point	1056.4±65.0 °C(Predicted)
pKa	6.20±0.40

XLogP3	1.4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	10
Exact Mass	740.19524968
Monoisotopic Mass	740.19524968
Heavy Atom Count	53
Complexity	1320
Defined Atom Stereocenter Count	10
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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