Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 284.29168 [g/mol] Molecular Formula C10H12N4O4S XLogP -1.4 H-Bond Donor 3 H-Bond Acceptor 8 Rotatable Bond Count 2 Tautomer Count 2 Exact Mass 284.057926 MonoIsotopic Mass 284.057926 Topological Polar Surface Area 114 Heavy Atom Count 19 Formal Charge 0 Complexity 339 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-(4-sulfanyltriazolo[5,4-c]pyridin-3-yl)oxolane-3,
4-diol
Canonical SMILES: C1=CN=C(C2=C1N=NN2C3C(C(C(O3)CO)O)O)S
InChI: InChI=1/C10H12N4O4S/c15-3-5-7(16)8(17)10(18-5)14-6-4(12-13-14)1-2-11-9
(6)19/h1-2,5,7-8,10,15-17H,3H2,(H,11,19)/f/h19H
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