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126875-80-7 | Guanosine, 8-[(4-chlorophenyl)amino]-2'-deoxy- (9CI)
CAS No: 126875-80-7 Catalog No: AG000TEN MDL No:
Product Description
Catalog Number:
AG000TEN
Chemical Name:
Guanosine, 8-[(4-chlorophenyl)amino]-2'-deoxy- (9CI)
CAS Number:
126875-80-7
Molecular Formula:
C16H17ClN6O4
Molecular Weight:
392.7970
IUPAC Name:
2-amino-8-(4-chloroanilino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C16H17ClN6O4/c17-7-1-3-8(4-2-7)19-16-20-12-13(21-15(18)22-14(12)26)23(16)11-5-9(25)10(6-24)27-11/h1-4,9-11,24-25H,5-6H2,(H,19,20)(H3,18,21,22,26)/t9-,10+,11+/m0/s1
InChI Key:
YXYOESGPFKOLTP-HBNTYKKESA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(Nc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
392.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
392.8g/mol
Monoisotopic Mass:
392.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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