2H-1-Benzopyran-2-one,7-[[2-deoxy-2-(sulfoamino)-a-D-glucopyranosyl]oxy]-4-methyl-


Chemical Name: 2H-1-Benzopyran-2-one,7-[[2-deoxy-2-(sulfoamino)-a-D-glucopyranosyl]oxy]-4-methyl-
CAS Number: 180088-52-2
Product Number: AG0021OA(AGN-PC-0QBQHV)
Synonyms:
MDL No:
Molecular Formula: C16H19NO10S
Molecular Weight: 417.3878

Identification/Properties


Computed Properties
Molecular Weight:
417.385g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
5
Exact Mass:
417.073g/mol
Monoisotopic Mass:
417.073g/mol
Topological Polar Surface Area:
180A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
719
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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