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134419-07-1 | diiodo-philanthotoxin-343-lysine
CAS No: 134419-07-1 Catalog No: AG00AFW1 MDL No:
Product Description
Catalog Number:
AG00AFW1
Chemical Name:
diiodo-philanthotoxin-343-lysine
CAS Number:
134419-07-1
IUPAC Name:
(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide
InChI:
InChI=1S/C29H51I2N7O4/c1-2-9-26(39)38-25(20-21-18-22(30)27(40)23(31)19-21)29(42)37-17-8-15-35-13-6-5-12-34-14-7-16-36-28(41)24(33)10-3-4-11-32/h18-19,24-25,34-35,40H,2-17,20,32-33H2,1H3,(H,36,41)(H,37,42)(H,38,39)/t24-,25-/m0/s1/i30-2,31-2
InChI Key:
XXKIHKWOYBOYNY-RNOIDMDUSA-N
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
811.21g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
2
Molecular Weight:
811.581g/mol
Monoisotopic Mass:
811.21g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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