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146-94-1 | 7H-Imidazo[4,5-d]-1,2,3-triazin-4-amine, 7-β-D-ribofuranosyl-
CAS No: 146-94-1 Catalog No: AG001DLX MDL No:
Product Description
Catalog Number:
AG001DLX
Chemical Name:
7H-Imidazo[4,5-d]-1,2,3-triazin-4-amine, 7-β-D-ribofuranosyl-
CAS Number:
146-94-1
Molecular Formula:
C9H12N6O4
Molecular Weight:
268.2294
IUPAC Name:
(2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-d]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C9H12N6O4/c10-7-4-8(13-14-12-7)15(2-11-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,12,13)/t3-,5-,6-,9-/m1/s1
InChI Key:
JNGWKCBNKZBPLB-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nnnc2N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
268.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
268.233g/mol
Monoisotopic Mass:
268.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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