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(1R,2S,4S,5S)-PHOPHORIC-ACID-MONO-[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-1-HYDROXYMETHYL-BICYCLO-[3.1.0]-HEX-2-YL]-ESTER
SpectraBase Compound ID 7o2pdu19AxB
InChI InChI=1S/C13H17ClN5O5P/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(24-25(21,22)23)13(4-20)3-6(7)13/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13-/m1/s1
InChIKey JBPZNHLPOYFQSQ-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 K0Y2ToDx1q3
Name (1R,2S,4S,5S)-PHOPHORIC-ACID-MONO-[4-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-1-HYDROXYMETHYL-BICYCLO-[3.1.0]-HEX-2-YL]-ESTER
Compound Number 7
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(24-25(21,22)23)13(4-20)3-6(7)13/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13-/m1/s1
InChIKey JBPZNHLPOYFQSQ-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 UWLU65708