Free Chemical Databases
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[Synonyms]
NSC144602
1426-59-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 372.736163 [g/mol] Molecular Formula C14H14ClFN4O5 XLogP 1.3 H-Bond Donor 0 H-Bond Acceptor 10 Rotatable Bond Count 6 Exact Mass 372.063675 MonoIsotopic Mass 372.063675 Topological Polar Surface Area 105 Heavy Atom Count 25 Formal Charge 0 Complexity 530 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: [4-acetyloxy-2-(6-chloropurin-9-yl)-5-(fluoromethyl)oxolan-3-yl] acetate
Canonical SMILES: CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3Cl)CF
InChI: InChI=1/C14H14ClFN4O5/c1-6(21)23-10-8(3-16)25-14(11(10)24-7(2)22)20-5-
19-9-12(15)17-4-18-13(9)20/h4-5,8,10-11,14H,3H2,1-2H3
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