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115747-35-8 | Guanosine, 2'-deoxy-8-[(3-methyl-3H-imidazo[4,5-f]quinolin-2-yl)amino]-
CAS No: 115747-35-8 Catalog No: AG000GTB MDL No:
Product Description
Catalog Number:
AG000GTB
Chemical Name:
Guanosine, 2'-deoxy-8-[(3-methyl-3H-imidazo[4,5-f]quinolin-2-yl)amino]-
CAS Number:
115747-35-8
Molecular Formula:
C21H21N9O4
Molecular Weight:
463.4493
IUPAC Name:
2-amino-8-(2-amino-3-methyl-2H-imidazo[4,5-f]quinolin-1-yl)-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C21H23N9O4/c1-28-11-5-4-10-9(3-2-6-24-10)16(11)30(20(28)23)21-25-15-17(26-19(22)27-18(15)33)29(21)14-7-12(32)13(8-31)34-14/h2-6,12-14,20,31-32H,7-8,23H2,1H3,(H3,22,26,27,33)
InChI Key:
RQVUGLZZQFDJNC-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(nc2c1nc(N)[nH]c2=O)Nc1nc2c(n1C)ccc1c2cccn1
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.187g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
465.474g/mol
Monoisotopic Mass:
465.187g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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