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730992-63-9

730992-63-9 structural image
Product Name: 1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-
Formula: C17H18N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 358.3 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 358.12771969 g/mol
Monoisotopic Mass 358.12771969 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 551
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes