| SpectraBase Compound ID | Jvl1Ys1t6KU |
|---|---|
| InChI | InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9?,10-,12+,13?,14-,15-,16+,17-,20+/m0/s1 |
| InChIKey | TXCIAUNLDRJGJZ-KUOQIMTLSA-N |
| Mol Weight | 614.45 g/mol |
| Molecular Formula | C20H31N4O16P |
| Exact Mass | 614.147268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPG14seL0DO |
|---|---|
| Name | CMP-NEU5AC;CYTIDINE-5'-MONOPHOSPHO-N-ACETYL-NEURAMINIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30N4O16P |
| InChI | InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9?,10-,12+,13?,14-,15-,16+,17-,20+/m0/s1 |
| InChIKey | TXCIAUNLDRJGJZ-KUOQIMTLSA-N |
| Literature Reference Author | J.SONG,H.ZHANG,B.WU,Y.ZHANG,H.LI,M.XIAO,P.G.WANG |
| Literature Reference Citation | MAR.DRUGS,1,34(2003) |
| Literature Reference DOI | 10.3390/md101034 |
| Molecular Weight | 613.449 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ9311 |