| SpectraBase Compound ID | CAS6AJwEQ4d |
|---|---|
| InChI | InChI=1S/C21H25N6O10P/c1-11(26-21(31)34-7-12-5-3-2-4-6-12)20(30)37-38(32,33)35-8-13-15(28)16(29)19(36-13)27-10-25-14-17(22)23-9-24-18(14)27/h2-6,9-11,13,15-16,19,28-29H,7-8H2,1H3,(H,26,31)(H,32,33)(H2,22,23,24)/t11-,13+,15+,16+,19+/m1/s1 |
| InChIKey | NMFBWDJWPVEHNA-CDKDABTNSA-N |
| Mol Weight | 552.44 g/mol |
| Molecular Formula | C21H25N6O10P |
| Exact Mass | 552.136978 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWi1qNerJws |
|---|---|
| Name | ADENOSINE-5'-MONOPHOSPHORIC_N-(CARBOXYLBENZYLOXY)-ALANYL-MIXED-ANHYDRIDE;10;CBZ-ALANYL-AMP;100_MM_MGCL2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24N6O10P |
| InChI | InChI=1S/C21H25N6O10P/c1-11(26-21(31)34-7-12-5-3-2-4-6-12)20(30)37-38(32,33)35-8-13-15(28)16(29)19(36-13)27-10-25-14-17(22)23-9-24-18(14)27/h2-6,9-11,13,15-16,19,28-29H,7-8H2,1H3,(H,26,31)(H,32,33)(H2,22,23,24)/t11-,13+,15+,16+,19+/m1/s1 |
| InChIKey | NMFBWDJWPVEHNA-CDKDABTNSA-N |
| Literature Reference Author | O.F.SCHALL,I.SUZUKI,C.L.MURRAY,J.I.GORDON,G.W.GOKEL |
| Literature Reference Citation | J.ORG.CHEM.,63,8661(1998) |
| Literature Reference DOI | 10.1021/jo971874f |
| Solvent | 20%_DMSO-D6:150MM_TAPS;PH=9 |
| Source File Reference | UWMZ26128 |