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1381761-52-9

1381761-52-9 structural image
Product Name: 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea
Formula: C27H40N8O4
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COMPUTED DESCRIPTORS

Molecular Weight 540.7 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 10
Exact Mass 540.31725179 g/mol
Monoisotopic Mass 540.31725179 g/mol
Topological Polar Surface Area 164 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 790
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