Free Chemical Databases
-
[Synonyms]
NSC157740
[Structure]
[ Properties Computed from Structure]
Molecular Weight 291.26272 [g/mol] Molecular Formula C12H13N5O4 XLogP -3.6 H-Bond Donor 3 H-Bond Acceptor 9 Rotatable Bond Count 2 Exact Mass 291.096754 MonoIsotopic Mass 291.096754 Topological Polar Surface Area 118 Heavy Atom Count 21 Formal Charge 0 Complexity 402 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 4 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol
Canonical SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3C4C(C(C(O4)CO)O)O
InChI: InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)
4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2
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