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Diethyl-2-[4-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-methyl]-1H-1,2,3-triazol-1-yl]-acetamidomethylphosphonate

View entire compound with spectra: 2 NMR

Diethyl-2-[4-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-methyl]-1H-1,2,3-triazol-1-yl]-acetamidomethylphosphonate
SpectraBase Compound ID LMy0vjUssLs
InChI InChI=1S/C15H22N9O5P/c1-3-28-30(27,29-4-2)9-18-11(25)7-24-6-10(21-22-24)5-23-8-17-12-13(23)19-15(16)20-14(12)26/h6,8H,3-5,7,9H2,1-2H3,(H,18,25)(H3,16,19,20,26)
InChIKey RALYBXACNHNSEU-UHFFFAOYSA-N
Mol Weight 439.37 g/mol
Molecular Formula C15H22N9O5P
Exact Mass 439.148152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54p6bUIOHuU
Name Diethyl-2-[4-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-methyl]-1H-1,2,3-triazol-1-yl]-acetamidomethylphosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.148151837 u
Formula C15H22N9O5P
InChI InChI=1S/C15H22N9O5P/c1-3-28-30(27,29-4-2)9-18-11(25)7-24-6-10(21-22-24)5-23-8-17-12-13(23)19-15(16)20-14(12)26/h6,8H,3-5,7,9H2,1-2H3,(H,18,25)(H3,16,19,20,26)
InChIKey RALYBXACNHNSEU-UHFFFAOYSA-N
Molecular Weight 439.373 g/mol
SMILES C=1(NC(C2=C(N1)N(C=N2)CC1=CN(N=N1)CC(NCP(=O)(OCC)OCC)=O)=O)N