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79677-58-0 | 3-IODO-L-TYROSINE METHYL ESTER HYDROCHLORIDE
CAS No: 79677-58-0 Catalog No: AG00GAPQ MDL No:MFCD07778603
Product Description
Catalog Number:
AG00GAPQ
Chemical Name:
3-IODO-L-TYROSINE METHYL ESTER HYDROCHLORIDE
CAS Number:
79677-58-0
Molecular Formula:
C10H13ClINO3
Molecular Weight:
357.5726
MDL Number:
MFCD07778603
IUPAC Name:
methyl (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C10H12INO3.ClH/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6;/h2-4,8,13H,5,12H2,1H3;1H/t8-;/m0./s1
InChI Key:
CCYPOKVFIQWUNE-QRPNPIFTSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(c(c1)I)O)N.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.963g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
357.572g/mol
Monoisotopic Mass:
356.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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