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(1S,2S)-DIBENZYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-2-BENZYLOXY-1-HYDROXYPROPYLPHOSPHONATE

View entire compound with spectra: 2 NMR

(1S,2S)-DIBENZYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-2-BENZYLOXY-1-HYDROXYPROPYLPHOSPHONATE
SpectraBase Compound ID IDknjMpZf4h
InChI InChI=1S/C32H32ClN8O5P/c33-29-28-30(37-32(34)36-29)40(22-35-28)16-26-17-41(39-38-26)18-27(44-19-23-10-4-1-5-11-23)31(42)47(43,45-20-24-12-6-2-7-13-24)46-21-25-14-8-3-9-15-25/h1-15,17,22,27,31,42H,16,18-21H2,(H2,34,36,37)/t27-,31-/m0/s1
InChIKey UGWLEKSORZPCRS-DHIFEGFHSA-N
Mol Weight 675.1 g/mol
Molecular Formula C32H32ClN8O5P
Exact Mass 674.192181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWkiW0qymec
Name (1S,2S)-DIBENZYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-2-BENZYLOXY-1-HYDROXYPROPYLPHOSPHONATE
Compound Number (1S,2S)-17K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32ClN8O5P
InChI InChI=1S/C32H32ClN8O5P/c33-29-28-30(37-32(34)36-29)40(22-35-28)16-26-17-41(39-38-26)18-27(44-19-23-10-4-1-5-11-23)31(42)47(43,45-20-24-12-6-2-7-13-24)46-21-25-14-8-3-9-15-25/h1-15,17,22,27,31,42H,16,18-21H2,(H2,34,36,37)/t27-,31-/m0/s1
InChIKey UGWLEKSORZPCRS-DHIFEGFHSA-N
Literature Reference Author I.E.GLOWACKA,G.ANDREI,D.SCHOLS,R.SNOECK,D.G.PIOTROWSKA
Literature Reference Citation MOLECULES,20,18789(2015)
Literature Reference DOI 10.3390/molecules201018789
Molecular Weight 675.083 g/mol
Solvent CDCl3
Source File Reference UWPA5251