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Home > Nitro Compounds > 88158-16-1
88158-16-1 | Guanosine, 1-[(4-nitrophenyl)methyl]-
CAS No: 88158-16-1 Catalog No: AG004FZV MDL No:
Product Description
Catalog Number:
AG004FZV
Chemical Name:
Guanosine, 1-[(4-nitrophenyl)methyl]-
CAS Number:
88158-16-1
Molecular Formula:
C17H18N6O7
Molecular Weight:
418.3608
IUPAC Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(4-nitrophenyl)methyl]purin-6-one
InChI:
InChI=1S/C17H18N6O7/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(6-24)30-16)15(27)21(17)5-8-1-3-9(4-2-8)23(28)29/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20)/t10-,12-,13-,16-/m1/s1
InChI Key:
GQLGFYRYRLBQDZ-XNIJJKJLSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)n(c2=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
418.124g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
418.366g/mol
Monoisotopic Mass:
418.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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