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112242-37-2 | N-(4-hydroxy-3,5-diiodophenylethyl)biotin amide
CAS No: 112242-37-2 Catalog No: AG009UDN MDL No:
Product Description
Catalog Number:
AG009UDN
Chemical Name:
N-(4-hydroxy-3,5-diiodophenylethyl)biotin amide
CAS Number:
112242-37-2
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]ethyl]pentanamide
InChI:
InChI=1S/C18H23I2N3O3S/c19-11-7-10(8-12(20)17(11)25)5-6-21-15(24)4-2-1-3-14-16-13(9-27-14)22-18(26)23-16/h7-8,13-14,16,25H,1-6,9H2,(H,21,24)(H2,22,23,26)/t13-,14-,16-/m0/s1/i19-2,20-2
InChI Key:
QELCXXJUDKKEBU-DMPPVTDHSA-N
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
610.955g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
2
Molecular Weight:
611.269g/mol
Monoisotopic Mass:
610.955g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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