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77450-67-0

77450-67-0 structural image
Product Name: 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
Formula: C16H15N8O16P2-
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COMPUTED DESCRIPTORS

Molecular Weight 637.3 g/mol
XLogP3 -3.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 6
Exact Mass 637.00812542 g/mol
Monoisotopic Mass 637.00812542 g/mol
Topological Polar Surface Area 351 Ų
Heavy Atom Count 42
Formal Charge -1
Complexity 1310
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes