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[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-(cyanomethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate

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[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-(cyanomethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate
SpectraBase Compound ID 7gM6GdorOS2
InChI InChI=1S/C18H20N6O7/c1-9(25)28-6-12-14(29-10(2)26)15(30-11(3)27)18(31-12)24-8-23-13-16(20-5-4-19)21-7-22-17(13)24/h7-8,12,14-15,18H,5-6H2,1-3H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
InChIKey QLOKRNJKLNLWIP-SCFUHWHPSA-N
Mol Weight 432.39 g/mol
Molecular Formula C18H20N6O7
Exact Mass 432.139347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGThJtAtZ0c
Name [(2R,3R,4R,5R)-3,4-Diacetoxy-5-[6-(cyanomethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.139347001 u
Formula C18H20N6O7
InChI InChI=1S/C18H20N6O7/c1-9(25)28-6-12-14(29-10(2)26)15(30-11(3)27)18(31-12)24-8-23-13-16(20-5-4-19)21-7-22-17(13)24/h7-8,12,14-15,18H,5-6H2,1-3H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
InChIKey QLOKRNJKLNLWIP-SCFUHWHPSA-N
Molecular Weight 432.393 g/mol
SMILES [C@@]1(N2C3=C(C(NCC#N)=NC=N3)N=C2)([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]