| SpectraBase Compound ID | HS6m0E5So1T |
|---|---|
| InChI | InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t4-,6-,7-,10-/m0/s1 |
| InChIKey | XNOBOKJVOTYSJV-DEGSGYPDSA-J |
| Mol Weight | 549.24 g/mol |
| Molecular Formula | C11H14N5O13P3S |
| Exact Mass | 548.952168 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sbo0eARY7f |
|---|---|
| Name | 2-(METHYL-THIOETHER)-ADENOSINE-5'-TRIPHOSPHATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H14N5O13P3S |
| InChI | InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t4-,6-,7-,10-/m0/s1 |
| InChIKey | XNOBOKJVOTYSJV-DEGSGYPDSA-J |
| Literature Reference Author | D.T.MAJOR,A.LAXER,B.FISCHER |
| Literature Reference Citation | J.ORG.CHEM.,67,790(2002) |
| Literature Reference DOI | 10.1021/jo0107554 |
| Solvent | H2O;PH=5.32 |
| Source File Reference | UWMS23193 |