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#1BL;TRISODIUM-[2'-HYDROXYETHYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;LOWER
SpectraBase Compound ID ArO7Fpnksfu
InChI InChI=1S/C19H30N4O16P2.3Na/c1-8(25)21-13-9(26)6-10(38-17(13)35-5-4-24)18(40(30,31)32)39-41(33,34)36-7-11-14(27)15(28)16(37-11)23-3-2-12(20)22-19(23)29;;;/h2-3,6,9,11,13-18,24,26-28H,4-5,7H2,1H3,(H,21,25)(H,33,34)(H2,20,22,29)(H2,30,31,32);;;/q;3*+1/p-3/t9-,11+,13+,14+,15+,16+,17+,18-;;;/m0.../s1
InChIKey LFYIPLYKTQSHMQ-PQRNXZPCSA-K
Mol Weight 698.35383184 g/mol
Molecular Formula C19H27N4Na3O16P2
Exact Mass 698.059038 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjKA8G3qbMs
Name #1BL;TRISODIUM-[2'-HYDROXYETHYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;LOWER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27N4Na3O16P2
InChI InChI=1S/C19H30N4O16P2.3Na/c1-8(25)21-13-9(26)6-10(38-17(13)35-5-4-24)18(40(30,31)32)39-41(33,34)36-7-11-14(27)15(28)16(37-11)23-3-2-12(20)22-19(23)29;;;/h2-3,6,9,11,13-18,24,26-28H,4-5,7H2,1H3,(H,21,25)(H,33,34)(H2,20,22,29)(H2,30,31,32);;;/q;3*+1/p-3/t9-,11+,13+,14+,15+,16+,17+,18-;;;/m0.../s1
InChIKey LFYIPLYKTQSHMQ-PQRNXZPCSA-K
Literature Reference Author R.SCHWOERER,R.R.SCHMIDT
Literature Reference Citation J.AM.CHEM.SOC.,124,1632(2002)
Literature Reference DOI 10.1021/ja017370n
Solvent D2O
Source File Reference UWLU47615