(1'S,2'R,3'S,4'R,5'S)-4-(6-AMINO-2-METHYLTHIOOXY-9H-PURIN-9-YL)-1-[PHOSPHORYLOXYMETHYL]-BICYCLO-[3.1.0]-HEXANE-2,3-DIOL

SpectraBase Compound ID	5xU1Ll6KW1p
InChI	InChI=1S/C13H18N5O7PS/c1-24-27-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-25-26(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13+/m1/s1
InChIKey	RRURYKRUBINXQA-XEMBYONJSA-N Google Search
Mol Weight	419.35 g/mol
Molecular Formula	C13H18N5O7PS
Exact Mass	419.066456 g/mol

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SpectraBase Spectrum ID	6nRkHCino5l
Name	(1'S,2'R,3'S,4'R,5'S)-4-(6-AMINO-2-METHYLTHIOOXY-9H-PURIN-9-YL)-1-[PHOSPHORYLOXYMETHYL]-BICYCLO-[3.1.0]-HEXANE-2,3-DIOL
Compound Number	11A
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C13H16N5O7PS
InChI	InChI=1S/C13H18N5O7PS/c1-24-27-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-25-26(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13+/m1/s1
InChIKey	RRURYKRUBINXQA-XEMBYONJSA-N
Literature Reference Author	R.G.RAVI,H.SKIM,J.SERVOS,H.ZIMMERMANN,K.LEE,S.MADDILETI,J.L. BOYER,T.K.HARDEN,K.A
Literature Reference Citation	J.MED.CHEM.,45,2090(2002)
Literature Reference DOI	10.1021/jm010538v
Solvent	D2O
Source File Reference	UWLU64370