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X1(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(PHOSPHONOMETHYLENE)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID EcT3wWLizFh
InChI InChI=1S/C12H15ClN5O5P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,2-24(21,22)23)8(20)7(6)19/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12+/m1/s1
InChIKey PADIHHWSQPXPGR-OBPILZPTSA-N
Mol Weight 375.71 g/mol
Molecular Formula C12H15ClN5O5P
Exact Mass 375.049933 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gakg6c1kN0
Name X1(6-AMINO-2-CHLOROPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(PHOSPHONOMETHYLENE)-BICYCLO-[3.1.0]-HEXANE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClN5O5P
InChI InChI=1S/C12H15ClN5O5P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,2-24(21,22)23)8(20)7(6)19/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12+/m1/s1
InChIKey PADIHHWSQPXPGR-OBPILZPTSA-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 UWMZ46402