L-Tyrosine, phenylmethyl ester, 4-methylbenzenesulfonate (salt)


Chemical Name: L-Tyrosine, phenylmethyl ester, 4-methylbenzenesulfonate (salt)
CAS Number: 53587-11-4
Product Number: AG00I9K2(AGN-PC-0SFH6G)
Synonyms:
MDL No:
Molecular Formula: C23H25NO6S
Molecular Weight: 443.5127

Identification/Properties


Properties
MP:
177 °C
BP:
671.3 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
-13 ° (C=3, MeOH)
Computed Properties
Molecular Weight:
443.514g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
443.14g/mol
Monoisotopic Mass:
443.14g/mol
Topological Polar Surface Area:
135A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
500
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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