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126788-74-7 | Guanosine, 8-[(4-methylphenyl)amino]- (9CI)
CAS No: 126788-74-7 Catalog No: AG000T8G MDL No:
Product Description
Catalog Number:
AG000T8G
Chemical Name:
Guanosine, 8-[(4-methylphenyl)amino]- (9CI)
CAS Number:
126788-74-7
Molecular Formula:
C17H20N6O5
Molecular Weight:
388.3779
IUPAC Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylanilino)-1H-purin-6-one
InChI:
InChI=1S/C17H20N6O5/c1-7-2-4-8(5-3-7)19-17-20-10-13(21-16(18)22-14(10)27)23(17)15-12(26)11(25)9(6-24)28-15/h2-5,9,11-12,15,24-26H,6H2,1H3,(H,19,20)(H3,18,21,22,27)
InChI Key:
GPBMURLREMWIQL-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(Nc2ccc(cc2)C)nc2c1nc(N)[nH]c2=O
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.15g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
388.384g/mol
Monoisotopic Mass:
388.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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