b-D-Glucopyranuronic acid,1-[1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate], [2S-[1[R*(R*)],2a,3ab,7ab]]-


Chemical Name: b-D-Glucopyranuronic acid,1-[1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate], [2S-[1[R*(R*)],2a,3ab,7ab]]-
CAS Number: 120398-66-5
Product Number: AG00811P(AGN-PC-0PEN8M)
Synonyms:
MDL No:
Molecular Formula: C25H40N2O11
Molecular Weight: 544.5919

Identification/Properties


Computed Properties
Molecular Weight:
544.598g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
12
Exact Mass:
544.263g/mol
Monoisotopic Mass:
544.263g/mol
Topological Polar Surface Area:
192A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
870
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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