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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-[(E)-PHOSPHONOETHENYL]-BICYCLO-[3.1.0]-HEXANE

View entire compound with spectra: 1 NMR

(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-[(E)-PHOSPHONOETHENYL]-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID AxtWWx4bbZj
InChI InChI=1S/C13H15ClN5O5P/c14-12-17-10(15)6-11(18-12)19(4-16-6)7-5-3-13(5,9(21)8(7)20)1-2-25(22,23)24/h1-2,4-5,7-9,20-21H,3H2,(H2,15,17,18)(H2,22,23,24)/b2-1+/t5-,7-,8+,9+,13-/m1/s1
InChIKey VISGUCWSHFMQTJ-DMRLHQEHSA-N
Mol Weight 387.72 g/mol
Molecular Formula C13H15ClN5O5P
Exact Mass 387.049933 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EtyRpzjIzN
Name (1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-[(E)-PHOSPHONOETHENYL]-BICYCLO-[3.1.0]-HEXANE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClN5O5P
InChI InChI=1S/C13H15ClN5O5P/c14-12-17-10(15)6-11(18-12)19(4-16-6)7-5-3-13(5,9(21)8(7)20)1-2-25(22,23)24/h1-2,4-5,7-9,20-21H,3H2,(H2,15,17,18)(H2,22,23,24)/b2-1+/t5-,7-,8+,9+,13-/m1/s1
InChIKey VISGUCWSHFMQTJ-DMRLHQEHSA-N
Literature Reference Author T.S.KUMAR,S.Y.ZHOU,B.V.JOSHI,R.BALASUBRAMANIAN,T.YANG,B.T.LI ANG,K.A.JACOBSON
Literature Reference Citation J.MED.CHEM.,53,2562(2010)
Literature Reference DOI 10.1021/jm9018542
Solvent D2O
Source File Reference UWMZ46404