![Adenosine, N-[4-[carboxymethyl]phenyl]-2'-o,3'-o,5'-o-triacetyl-](/api/spectrum/ACZfgdBIoVR/structure.png?h=300&w=458 "Adenosine, N-[4-[carboxymethyl]phenyl]-2'-o,3'-o,5'-o-triacetyl-")
| SpectraBase Compound ID | 4Fj44e43pA |
|---|---|
| InChI | InChI=1S/C24H25N5O9/c1-12(30)35-9-17-20(36-13(2)31)21(37-14(3)32)24(38-17)29-11-27-19-22(25-10-26-23(19)29)28-16-6-4-15(5-7-16)8-18(33)34/h4-7,10-11,17,20-21,24H,8-9H2,1-3H3,(H,33,34)(H,25,26,28)/t17-,20-,21-,24-/m1/s1 |
| InChIKey | XUJVBHGIRRBQKG-FGSUIDRYSA-N |
| Mol Weight | 527.49 g/mol |
| Molecular Formula | C24H25N5O9 |
| Exact Mass | 527.165227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACZfgdBIoVR |
|---|---|
| Name | Adenosine, N-[4-[carboxymethyl]phenyl]-2'-o,3'-o,5'-o-triacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 527.165227396 u |
| Formula | C24H25N5O9 |
| InChI | InChI=1S/C24H25N5O9/c1-12(30)35-9-17-20(36-13(2)31)21(37-14(3)32)24(38-17)29-11-27-19-22(25-10-26-23(19)29)28-16-6-4-15(5-7-16)8-18(33)34/h4-7,10-11,17,20-21,24H,8-9H2,1-3H3,(H,33,34)(H,25,26,28)/t17-,20-,21-,24-/m1/s1 |
| InChIKey | XUJVBHGIRRBQKG-FGSUIDRYSA-N |
| Molecular Weight | 527.490 g/mol |
| SMILES | C12=C(C(=NC=N2)NC2=CC=C(C=C2)CC(=O)O)N=CN1[C@@]1(O[C@@]([C@@](OC(=O)C)([C@]1(OC(=O)C)[H])[H])(COC(=O)C)[H])[H] |