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1456538-51-4

1456538-51-4 structural image
Product Name: 3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro- 4H-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-7-ol
Formula: C17H25N5O5S
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COMPUTED DESCRIPTORS

Molecular Weight 411.5 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 411.15764009 g/mol
Monoisotopic Mass 411.15764009 g/mol
Topological Polar Surface Area 145 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 635
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes