3',6-Disinapoylsucrose

Cat. No.: PI139891988

Product Details Computed Properties

CAS	139891-98-8
Synonyms	α-D-Glucopyranoside,3-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl,6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate],[1(E),6(E)]-
Molecular Formula	C34H42O19
Molecular Weight	754.69
Density	1.56±0.1 g/cm3
Melting Point	129-130 °C
Boiling Point	988.0±65.0 °C(Predicted)
pKa	9.75±0.36

XLogP3	-0.5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	17
Exact Mass	754.23202911
Monoisotopic Mass	754.23202911
Heavy Atom Count	53
Complexity	1210
Defined Atom Stereocenter Count	9
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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