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160928-38-1

160928-38-1 structural image
Product Name: 6-N,N-DIETHYL-D-BETA-GAMMA-DIBROMOMETHYLENE ATP
Formula: C15H24Br2N5O12P3
Synonyms: 6-N,N-Diethyl-β-γ-dibromomethylene-D-adenosine-5′-triphosphate trisodium salt hydrate;FPL 67156
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COMPUTED DESCRIPTORS

Molecular Weight 719.11 g/mol
XLogP3 -2.7
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 11
Exact Mass 718.89806 g/mol
Monoisotopic Mass 716.90011 g/mol
Topological Polar Surface Area 247 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 960
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