(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acid


Chemical Name: (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acid
CAS Number: 220400-04-4
Product Number: AG00C1MS(AGN-PC-0WAMLR)
Synonyms:
MDL No: MFCD06223296
Molecular Formula: C17H16INO4
Molecular Weight: 425.2177

Identification/Properties


Computed Properties
Molecular Weight:
425.222g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
425.012g/mol
Monoisotopic Mass:
425.012g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
390
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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