| SpectraBase Compound ID | 6Ypr6sb1dMx |
|---|---|
| InChI | InChI=1S/C19H34N2O18S2.Na/c1-8(22)21-10-11(23)14(39-41(31,32)33)9(7-35-40(28,29)30)36-18(10)37-15-12(24)13(25)19(38-16(15)17(26)27)34-6-4-2-3-5-20;/h9-16,18-19,23-25H,2-7,20H2,1H3,(H,21,22)(H,26,27)(H,28,29,30)(H,31,32,33);/q;+1/p-1/t9-,10-,11-,12+,13+,14+,15-,16-,18+,19+;/m1./s1 |
| InChIKey | PPKXIDNSUOTYEU-FFPBMEOKSA-M |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C19H33N2NaO18S2 |
| Exact Mass | 664.106749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fkm5peHWwlw |
|---|---|
| Name | 5-AMINOPENTYL-4-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDURONIC-ACID-SODIUM-SALT |
| Compound Number | 15-SODIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H33N2NaO18S2 |
| InChI | InChI=1S/C19H34N2O18S2.Na/c1-8(22)21-10-11(23)14(39-41(31,32)33)9(7-35-40(28,29)30)36-18(10)37-15-12(24)13(25)19(38-16(15)17(26)27)34-6-4-2-3-5-20;/h9-16,18-19,23-25H,2-7,20H2,1H3,(H,21,22)(H,26,27)(H,28,29,30)(H,31,32,33);/q;+1/p-1/t9-,10-,11-,12+,13+,14+,15-,16-,18+,19+;/m1./s1 |
| InChIKey | PPKXIDNSUOTYEU-FFPBMEOKSA-M |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 664.583 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU85328 |