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105811-49-2 | N(6)-2-(4-azido-3-iodophenyl)ethyladenosine
CAS No: 105811-49-2 Catalog No: AG009T0Z MDL No:
Product Description
Catalog Number:
AG009T0Z
Chemical Name:
N(6)-2-(4-azido-3-iodophenyl)ethyladenosine
CAS Number:
105811-49-2
IUPAC Name:
(2R,3R,4S,5R)-2-[6-[2-(4-azido-3-(125I)iodanylphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C18H19IN8O4/c19-10-5-9(1-2-11(10)25-26-20)3-4-21-16-13-17(23-7-22-16)27(8-24-13)18-15(30)14(29)12(6-28)31-18/h1-2,5,7-8,12,14-15,18,28-30H,3-4,6H2,(H,21,22,23)/t12-,14-,15-,18-/m1/s1/i19-2
InChI Key:
JCAFOLRGWKNCGC-DVPMXGFESA-N
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
536.058g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
1
Molecular Weight:
536.307g/mol
Monoisotopic Mass:
536.058g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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