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1027-28-7 | L-Tyrosine, N-acetyl-3,5-diiodo-
CAS No: 1027-28-7 Catalog No: AG00085O MDL No:MFCD00020004
Product Description
Catalog Number:
AG00085O
Chemical Name:
L-Tyrosine, N-acetyl-3,5-diiodo-
CAS Number:
1027-28-7
Molecular Formula:
C11H11I2NO4
Molecular Weight:
475.0183
MDL Number:
MFCD00020004
IUPAC Name:
(2S)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
InChI:
InChI=1S/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
InChI Key:
CDXURJOCZAIXFK-VIFPVBQESA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)NC(=O)C
EC Number:
213-837-3
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
474.878g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
475.021g/mol
Monoisotopic Mass:
474.878g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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