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79953-05-2 | 8-(4-bromophenyl)guanosine
CAS No: 79953-05-2 Catalog No: AG004Z8N MDL No:
Product Description
Catalog Number:
AG004Z8N
Chemical Name:
8-(4-bromophenyl)guanosine
CAS Number:
79953-05-2
Molecular Formula:
C16H16BrN5O5
Molecular Weight:
438.2327
IUPAC Name:
2-amino-8-(4-bromophenyl)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C16H16BrN5O5/c17-7-3-1-6(2-4-7)12-19-9-13(20-16(18)21-14(9)26)22(12)15-11(25)10(24)8(5-23)27-15/h1-4,8,10-11,15,23-25H,5H2,(H3,18,20,21,26)/t8-,10-,11-,15-/m1/s1
InChI Key:
QHHRTUOGGPLBPO-ORXWAGORSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(nc2c1nc(N)[nH]c2=O)c1ccc(cc1)Br
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
437.033g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
438.238g/mol
Monoisotopic Mass:
437.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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