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108206-16-2 | 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide
CAS No: 108206-16-2 Catalog No: AG009QE9 MDL No:
Product Description
Catalog Number:
AG009QE9
Chemical Name:
17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide
CAS Number:
108206-16-2
IUPAC Name:
(1S,15S,18S,19S,20S)-N-(4-azido-3-(125I)iodanylphenyl)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
InChI:
InChI=1S/C26H27IN6O2/c27-19-11-15(6-7-21(19)31-32-28)29-26(35)24-18-12-22-25-17(16-3-1-2-4-20(16)30-25)9-10-33(22)13-14(18)5-8-23(24)34/h1-4,6-7,11,14,18,22-24,30,34H,5,8-10,12-13H2,(H,29,35)/t14-,18+,22+,23+,24+/m1/s1/i27-2
InChI Key:
OIJUJHQUYGBPNM-NCNAYSDWSA-N
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
580.124g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
1
Molecular Weight:
580.447g/mol
Monoisotopic Mass:
580.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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