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88180-56-7 | L-Histidine, 2-[(4-arsonophenyl)azo]-
CAS No: 88180-56-7 Catalog No: AG004EVI MDL No:
Product Description
Catalog Number:
AG004EVI
Chemical Name:
L-Histidine, 2-[(4-arsonophenyl)azo]-
CAS Number:
88180-56-7
Molecular Formula:
C12H14AsN5O5
Molecular Weight:
383.1917
IUPAC Name:
(2S)-2-amino-3-[2-[(4-arsonophenyl)diazenyl]-1H-imidazol-5-yl]propanoic acid
InChI:
InChI=1S/C12H14AsN5O5/c14-10(11(19)20)5-9-6-15-12(16-9)18-17-8-3-1-7(2-4-8)13(21,22)23/h1-4,6,10H,5,14H2,(H,15,16)(H,19,20)(H2,21,22,23)/t10-/m0/s1
InChI Key:
JIOYLPUFOWARLQ-JTQLQIEISA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c(n1)N=Nc1ccc(cc1)[As](=O)(O)O)N
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
383.021g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
383.196g/mol
Monoisotopic Mass:
383.021g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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