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7699-38-9

7699-38-9 structural image
Product Name: P-NITROPHENYL BETA-D-N,N',N''-TRIACETYLCHITOTRIOSE
Formula: C30H44N4O18
Synonyms: N-[2-[5-acetamido-6-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;4-Nitrophenyl b-D-N,N′,N′′-triacetylchitotriose;4-Nitrophenyl beta-D-N,N′,N′′-triacetylchitotriose
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COMPUTED DESCRIPTORS

Molecular Weight 748.7 g/mol
XLogP3 -4.7
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 12
Exact Mass 748.26506057 g/mol
Monoisotopic Mass 748.26506057 g/mol
Topological Polar Surface Area 330 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 15
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes