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object
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_id
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D7U2rusxj2p
spectrumID
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D7U2rusxj2p
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specType
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYLGUANOSIN-3'-YL)-N-(5-CARBOXYPENTAL)-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_1
SpectraBase Compound ID 9tLkLXALqpW
InChI InChI=1S/C26H38N9O12P.Na/c1-43-20-19(15(10-36)46-24(20)35-12-29-18-21(35)32-25(28)33-22(18)40)47-48(42,30-7-4-2-3-5-17(38)39)44-11-13-9-14(37)23(45-13)34-8-6-16(27)31-26(34)41;/h6,8,12-15,19-20,23-24,36-37H,2-5,7,9-11H2,1H3,(H,30,42)(H,38,39)(H2,27,31,41)(H3,28,32,33,40);/q;+1/p-1
InChIKey YWJCWOJTMPXPHC-UHFFFAOYSA-M
Mol Weight 721.6 g/mol
Molecular Formula C26H37N9NaO12P
Exact Mass 721.219699 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7U2rusxj2p
Name O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYLGUANOSIN-3'-YL)-N-(5-CARBOXYPENTYL)-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H37N9NaO12P
InChI InChI=1S/C26H38N9O12P.Na/c1-43-20-19(15(10-36)46-24(20)35-12-29-18-21(35)32-25(28)33-22(18)40)47-48(42,30-7-4-2-3-5-17(38)39)44-11-13-9-14(37)23(45-13)34-8-6-16(27)31-26(34)41;/h6,8,12-15,19-20,23-24,36-37H,2-5,7,9-11H2,1H3,(H,30,42)(H,38,39)(H2,27,31,41)(H3,28,32,33,40);/q;+1/p-1
InChIKey YWJCWOJTMPXPHC-UHFFFAOYSA-M
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 721.596 g/mol
Solvent D2O
Source File Reference UWMZ47501
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