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(1R,2S,4S,5S)-PHOPHORIC-ACID-MONO-[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-HYDROXY-BICYCLO-[3.1.0]-HEX-1-YL-METHYL]-ESTER

View entire compound with spectra: 1 NMR

(1R,2S,4S,5S)-PHOPHORIC-ACID-MONO-[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-HYDROXY-BICYCLO-[3.1.0]-HEX-1-YL-METHYL]-ESTER
SpectraBase Compound ID K4Zr229ncLS
InChI InChI=1S/C13H17ClN5O5P/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(20)13(3-6(7)13)4-24-25(21,22)23/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13-/m1/s1
InChIKey PYRJJXCDVGCPOH-QRMHULIRSA-N
Mol Weight 389.74 g/mol
Molecular Formula C13H17ClN5O5P
Exact Mass 389.065583 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aa8UVqX2vBb
Name (1R,2S,4S,5S)-PHOPHORIC-ACID-MONO-[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-HYDROXY-BICYCLO-[3.1.0]-HEX-1-YL-METHYL]-ESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15ClN5O5P
InChI InChI=1S/C13H17ClN5O5P/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(20)13(3-6(7)13)4-24-25(21,22)23/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13-/m1/s1
InChIKey PYRJJXCDVGCPOH-QRMHULIRSA-N
Literature Reference Author B.XU,A.STEPHENS,G.KRISCHENHEUTER,A.F.GRESLIN,X.CHENG,J.SENNE LO,M.CATTANEO,M.L.ZI
Literature Reference Citation J.MED.CHEM.,45,5694(2002)
Literature Reference DOI 10.1021/jm020173u
Solvent D2O
Source File Reference UWLU65709