| SpectraBase Compound ID | D1xCRy0G8oN |
|---|---|
| InChI | InChI=1S/C20H30FN4O16P.Na/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35;/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35);/q;+1/p-1/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-;/m1./s1 |
| InChIKey | YMUPAHPRDHSQHJ-WEXVGXDTSA-M |
| Mol Weight | 654.43 g/mol |
| Molecular Formula | C20H29FN4NaO16P |
| Exact Mass | 654.11979 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8k8fik313fs |
|---|---|
| Name | CYTIDINE-5'-PHOSPHATE-P'-(5-ACETAMIDO-3,5-DIDEOXY-3-FLUORO-2-D-ERYTHRO-ALPHA-L-MANNO-2-NONULOPYRANOSONIC-ACID-SODIUM-SALT) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28FN4NaO16P |
| InChI | InChI=1S/C20H30FN4O16P.Na/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35;/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35);/q;+1/p-1/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-;/m1./s1 |
| InChIKey | YMUPAHPRDHSQHJ-WEXVGXDTSA-M |
| Literature Reference Author | A.G.WATTS,S.G.WITHERS |
| Literature Reference Citation | CAN.J.CHEM.,82,1581(2004) |
| Literature Reference DOI | 10.1139/v04-125 |
| Solvent | CDCl3 |
| Source File Reference | UWMS28762 |