Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, (2S,3S)-


Chemical Name: Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, (2S,3S)-
CAS Number: 80822-15-7
Product Number: AG008LP6(AGN-PC-0OIG86)
Synonyms:
MDL No:
Molecular Formula: C18H16O9
Molecular Weight: 376.3142

Identification/Properties


Computed Properties
Molecular Weight:
376.317g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
9
Exact Mass:
376.079g/mol
Monoisotopic Mass:
376.079g/mol
Topological Polar Surface Area:
128A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
483
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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