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53958-47-7

53958-47-7 structural image
Product Name: HEPTAKIS-6-AZIDO-6-DEOXY-BETA-CYCLODEXTRIN, 1:1 DMF COMPLEX, 95
Formula: C42H63N21O28
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COMPUTED DESCRIPTORS

Molecular Weight 1310.1 g/mol
XLogP3 -3.9
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 42
Rotatable Bond Count 14
Exact Mass 1309.4151404 g/mol
Monoisotopic Mass 1309.4151404 g/mol
Topological Polar Surface Area 513 Ų
Heavy Atom Count 91
Formal Charge 0
Complexity 2290
Isotope Atom Count 0
Defined Atom Stereocenter Count 14
Undefined Atom Stereocenter Count 21
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes