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1146967-98-7

1146967-98-7 structural image
Product Name: Paeoniflorin sulfite
Formula: C23H28O13S
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COMPUTED DESCRIPTORS

Molecular Weight 543.5 g/mol
XLogP3 -1.2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 8
Exact Mass 543.11723709 g/mol
Monoisotopic Mass 543.11723709 g/mol
Topological Polar Surface Area 213 Ų
Heavy Atom Count 37
Formal Charge -1
Complexity 955
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes