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2222359-92-2

2222359-92-2 structural image
Product Name: Adenosine, 5′-S-[(2R,4R)-2-(methoxycarbonyl)-4-piperidinyl]-2′,3′-O-(1-methylethylidene)-5′-thio-
Formula: C20H28N6O5S
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COMPUTED DESCRIPTORS

Molecular Weight 464.5 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 6
Exact Mass 464.18418919 g/mol
Monoisotopic Mass 464.18418919 g/mol
Topological Polar Surface Area 161 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 703
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes