1H-Indole-7-carbonitrile,5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-,(2R,3R)-2,3-dihydroxybutanedioate (1:1)


Chemical Name: 1H-Indole-7-carbonitrile,5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-,(2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS Number: 239463-85-5
Product Number: AG00346D(AGN-PC-0QZYNW)
Synonyms:
MDL No:
Molecular Formula: C26H31N3O8
Molecular Weight: 513.5396

Identification/Properties


Properties
MP:
> 180° C (dec.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
513.547g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
11
Exact Mass:
513.211g/mol
Monoisotopic Mass:
513.211g/mol
Topological Polar Surface Area:
194A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
671
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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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