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136991-06-5 | Guanosine, N-(naphthalenylcarbonyl)- (9CI)
CAS No: 136991-06-5 Catalog No: AG0012N4 MDL No:
Product Description
Catalog Number:
AG0012N4
Chemical Name:
Guanosine, N-(naphthalenylcarbonyl)- (9CI)
CAS Number:
136991-06-5
Molecular Formula:
C21H19N5O6
Molecular Weight:
437.4055
IUPAC Name:
N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]naphthalene-1-carboxamide
InChI:
InChI=1S/C21H19N5O6/c27-8-13-15(28)16(29)20(32-13)26-9-22-14-17(26)23-21(25-19(14)31)24-18(30)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9,13,15-16,20,27-29H,8H2,(H2,23,24,25,30,31)
InChI Key:
PIHOJTMBUXWGPL-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NC(=O)c1cccc3c1cccc3)[nH]c2=O
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.134g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
437.412g/mol
Monoisotopic Mass:
437.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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