Free Chemical Databases
-
[Synonyms]
NSC103552
7648-32-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 281.2679 [g/mol] Molecular Formula C11H15N5O4 XLogP -0.6 H-Bond Donor 3 H-Bond Acceptor 9 Rotatable Bond Count 3 Tautomer Count 3 Exact Mass 281.112404 MonoIsotopic Mass 281.112404 Topological Polar Surface Area 129 Heavy Atom Count 20 Formal Charge 0 Complexity 349 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Canonical SMILES: COC1=NC(=NC2=C1N=CN2C3C(CC(O3)CO)O)N
InChI: InChI=1/C11H15N5O4/c1-19-9-7-8(14-11(12)15-9)16(4-13-7)10-6(18)2-5(3-17)
20-10/h4-6,10,17-18H,2-3H2,1H3,(H2,12,14,15)/f/h12H2
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