L-Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate


Chemical Name: L-Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate
CAS Number: 2886-33-1
Product Number: AG00I5DT(AGN-PC-0R4NZH)
Synonyms:
MDL No:
Molecular Formula: C25H27NO7S
Molecular Weight: 485.5494

Identification/Properties


Properties
MP:
157-160 °C(lit.)
BP:
455.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
485.551g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
10
Exact Mass:
485.151g/mol
Monoisotopic Mass:
485.151g/mol
Topological Polar Surface Area:
141A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
580
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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