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23277-49-8 | L-Tyrosine, N-acetyl-3-iodo-, hydrate (2:1)
CAS No: 23277-49-8 Catalog No: AG002MQR MDL No:
Product Description
Catalog Number:
AG002MQR
Chemical Name:
L-Tyrosine, N-acetyl-3-iodo-, hydrate (2:1)
CAS Number:
23277-49-8
Molecular Formula:
C22H26I2N2O9
Molecular Weight:
716.2588
IUPAC Name:
(2S)-2-acetamido-3-(4-hydroxy-3-iodophenyl)propanoic acid;hydrate
InChI:
InChI=1S/C11H12INO4.H2O/c1-6(14)13-9(11(16)17)5-7-2-3-10(15)8(12)4-7;/h2-4,9,15H,5H2,1H3,(H,13,14)(H,16,17);1H2/t9-;/m0./s1
InChI Key:
HBYKXDRMDNLYTR-FVGYRXGTSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1ccc(c(c1)I)O.CC(=O)N[C@H](C(=O)O)Cc1ccc(c(c1)I)O.O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
366.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
367.139g/mol
Monoisotopic Mass:
366.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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