![#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](/api/spectrum/DjKA8G3qbMs/structure.png?h=300&w=458 "#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
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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 |