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(1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINOPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(METHYLPHOSPHONIC_ACID)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID K8yJEnmuWQW
InChI InChI=1S/C13H18N5O4P/c1-23(21,22)3-13-2-6(13)8(9(19)10(13)20)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,19-20H,2-3H2,1H3,(H,21,22)(H2,14,15,16)/t6-,8-,9+,10+,13+/m1/s1
InChIKey STTWRMLIBKNRSR-LBAPPXMXSA-N
Mol Weight 339.29 g/mol
Molecular Formula C13H18N5O4P
Exact Mass 339.109641 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RsJzYCDzYG
Name (1'-S,2'-R,3'-S,4'-R,5'-S)-4'-(6-AMINOPURIN-9-YL)-2',3'-(DIHYDROXY)-1'-(METHYLPHOSPHONIC_ACID)-BICYCLO-[3.1.0]-HEXANE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N5O4P
InChI InChI=1S/C13H18N5O4P/c1-23(21,22)3-13-2-6(13)8(9(19)10(13)20)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,19-20H,2-3H2,1H3,(H,21,22)(H2,14,15,16)/t6-,8-,9+,10+,13+/m1/s1
InChIKey STTWRMLIBKNRSR-LBAPPXMXSA-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 UWMZ46409