| SpectraBase Compound ID | 5txTozuL0iN |
|---|---|
| InChI | InChI=1S/C11H19NO9.C9H12BNO3/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);3-6,13-14H,2H2,1H3,(H,11,12)/t5-,6+,7+,8+,9+,11-;/m0./s1 |
| InChIKey | ZXOABFWNTLXJCU-BKSOAOGQSA-N |
| Mol Weight | 502.28 g/mol |
| Molecular Formula | C20H31BN2O12 |
| Exact Mass | 502.197005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iQNq8qcL5R |
|---|---|
| Name | N-ACETYLNEURAMINIC-ACID*3-(PROPIONAMIDO)-PHENYLBORONIC-ACID;FREE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H31BN2O12 |
| InChI | InChI=1S/C11H19NO9.C9H12BNO3/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);3-6,13-14H,2H2,1H3,(H,11,12)/t5-,6+,7+,8+,9+,11-;/m0./s1 |
| InChIKey | ZXOABFWNTLXJCU-BKSOAOGQSA-N |
| Literature Reference Author | H.OTSUKA,E.UCHIMURA,H.KOSHINO,T.OKANO,K.KATAOKA |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,3493(2003) |
| Literature Reference DOI | 10.1021/ja021303r |
| Molecular Weight | 502.282 g/mol |
| Sample ID | 30244 |
| Solvent | D2O;PD=7.4 |