O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORYLAMIDATE_SODIUM_SALT;ISOMER_1

SpectraBase Compound ID	Lmxxn881iVZ
InChI	InChI=1S/C26H37N9O17P2.4Na/c1-47-18-17(14(9-49-54(44,45)46)51-22(18)35-10-29-16-19(35)32-25(28)33-20(16)37)52-53(43,30-5-2-3-12(23(38)39)24(40)41)48-8-11-7-13(36)21(50-11)34-6-4-15(27)31-26(34)42;;;;/h4,6,10-14,17-18,21-22,36H,2-3,5,7-9H2,1H3,(H,30,43)(H,38,39)(H,40,41)(H2,27,31,42)(H2,44,45,46)(H3,28,32,33,37);;;;/q;4*+1/p-4
InChIKey	VUNQPIOJTKCNPK-UHFFFAOYSA-J Google Search
Mol Weight	897.5 g/mol
Molecular Formula	C26H33N9Na4O17P2
Exact Mass	897.106042 g/mol

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SpectraBase Spectrum ID	GdSWFaOPUfW
Name	O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2
Compound Number	7
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C26H33N9Na4O17P2
InChI	InChI=1S/C26H37N9O17P2.4Na/c1-47-18-17(14(9-49-54(44,45)46)51-22(18)35-10-29-16-19(35)32-25(28)33-20(16)37)52-53(43,30-5-2-3-12(23(38)39)24(40)41)48-8-11-7-13(36)21(50-11)34-6-4-15(27)31-26(34)42;;;;/h4,6,10-14,17-18,21-22,36H,2-3,5,7-9H2,1H3,(H,30,43)(H,38,39)(H,40,41)(H2,27,31,42)(H2,44,45,46)(H3,28,32,33,37);;;;/q;4*+1/p-4
InChIKey	VUNQPIOJTKCNPK-UHFFFAOYSA-J
Literature Reference Author	S.PRIET,I.ZLATEV,I.BARVIK,K.GEERTS,P.LEYSSEN,J.NEYTA,F.DUTAR TRE,B.CANARD,J.J.VAS
Literature Reference Citation	J.MED.CHEM.,53,6608(2010)
Literature Reference DOI	10.1021/jm100102v
Molecular Weight	897.505 g/mol
Solvent	D2O
Source File Reference	UWMZ47505