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Home > Nitro Compounds > 79953-07-4
79953-07-4 | 8-(4-nitrophenyl)guanosine
CAS No: 79953-07-4 Catalog No: AG004Z8M MDL No:
Product Description
Catalog Number:
AG004Z8M
Chemical Name:
8-(4-nitrophenyl)guanosine
CAS Number:
79953-07-4
Molecular Formula:
C16H16N6O7
Molecular Weight:
404.3342
IUPAC Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-nitrophenyl)-1H-purin-6-one
InChI:
InChI=1S/C16H16N6O7/c17-16-19-13-9(14(26)20-16)18-12(6-1-3-7(4-2-6)22(27)28)21(13)15-11(25)10(24)8(5-23)29-15/h1-4,8,10-11,15,23-25H,5H2,(H3,17,19,20,26)/t8-,10-,11-,15-/m1/s1
InChI Key:
ZGKDVLSYXKPWHQ-ORXWAGORSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(nc2c1nc(N)[nH]c2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
404.108g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
404.339g/mol
Monoisotopic Mass:
404.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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