| SpectraBase Compound ID | 2hutCMAFBCS |
|---|---|
| InChI | InChI=1S/C11H16N5O6PS/c1-24-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | VOIYCDHYAXOCRF-IOSLPCCCSA-N |
| Mol Weight | 377.31 g/mol |
| Molecular Formula | C11H16N5O6PS |
| Exact Mass | 377.055891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3QNCH68EtK |
|---|---|
| Name | Adenosine-5'-methylthiolphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.055891421 u |
| Formula | C11H16N5O6PS |
| InChI | InChI=1S/C11H16N5O6PS/c1-24-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | VOIYCDHYAXOCRF-IOSLPCCCSA-N |
| Molecular Weight | 377.312 g/mol |
| SMILES | OP(OC[C@]1(O[C@@](N2c3c(c(ncn3)N)N=C2)([C@@]([C@@]1(O)[H])(O)[H])[H])[H])(=O)SC |