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82682-91-5 | N-(DEOXYGUANOSIN-8-YL)BENZIDINE
CAS No: 82682-91-5 Catalog No: AG004WUM MDL No:
Product Description
Catalog Number:
AG004WUM
Chemical Name:
N-(DEOXYGUANOSIN-8-YL)BENZIDINE
CAS Number:
82682-91-5
Molecular Formula:
C22H23N7O4
Molecular Weight:
449.4625
IUPAC Name:
2-amino-8-[4-(4-aminophenyl)anilino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C22H23N7O4/c23-13-5-1-11(2-6-13)12-3-7-14(8-4-12)25-22-26-18-19(27-21(24)28-20(18)32)29(22)17-9-15(31)16(10-30)33-17/h1-8,15-17,30-31H,9-10,23H2,(H,25,26)(H3,24,27,28,32)/t15-,16+,17+/m0/s1
InChI Key:
KRXNALOGQHZLOT-GVDBMIGSSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(Nc2ccc(cc2)c2ccc(cc2)N)nc2c1nc(N)[nH]c2=O
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
449.181g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
449.471g/mol
Monoisotopic Mass:
449.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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