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103404-95-1

103404-95-1 structural image
Product Name: C4:0
Formula: C25H43LiN7O17P3S
Synonyms: 2-Methylpropanoyl-CoA;IB-CoA
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COMPUTED DESCRIPTORS

Molecular Weight 844.6 g/mol
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 21
Exact Mass 844.17307850 g/mol
Monoisotopic Mass 844.17307850 g/mol
Topological Polar Surface Area 389 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1430
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 5
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes