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6996-16-3 | L-Histidine, 2,5-diiodo-
CAS No: 6996-16-3 Catalog No: AG005T11 MDL No:
Product Description
Catalog Number:
AG005T11
Chemical Name:
L-Histidine, 2,5-diiodo-
CAS Number:
6996-16-3
Molecular Formula:
C6H7I2N3O2
Molecular Weight:
406.9476
IUPAC Name:
(2S)-2-amino-3-(2,4-diiodo-1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C6H7I2N3O2/c7-4-3(10-6(8)11-4)1-2(9)5(12)13/h2H,1,9H2,(H,10,11)(H,12,13)/t2-/m0/s1
InChI Key:
ZMELUTBTYDGWOF-REOHCLBHSA-N
SMILES:
N[C@H](C(=O)O)Cc1nc([nH]c1I)I
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
406.863g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.95g/mol
Monoisotopic Mass:
406.863g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Studies on sea snake venom. | Proceedings of the Japan Academy. Series B, Physical and biological sciences 20110311 |
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