| SpectraBase Compound ID | HlNCnpKyse1 |
|---|---|
| InChI | InChI=1S/C10H16N5O10P3S3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-27(20,30)25-28(21,31)24-26(18,19)29/h2-4,6-7,10,16-17H,1H2,(H,20,30)(H,21,31)(H2,11,12,13)(H2,18,19,29)/t4-,6-,7-,10-,27?,28?/m1/s1 |
| InChIKey | MVFYLDVKPSCFHM-WJWAJYMISA-N |
| Mol Weight | 555.36 g/mol |
| Molecular Formula | C10H16N5O10P3S3 |
| Exact Mass | 554.927216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3xbDEcdFkP |
|---|---|
| Name | ADENOSINE-5'-O-TRITHIOTRIPHOSPHATE |
| Compound Number | 34D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H15N5O10P3S3 |
| InChI | InChI=1S/C10H16N5O10P3S3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-27(20,30)25-28(21,31)24-26(18,19)29/h2-4,6-7,10,16-17H,1H2,(H,20,30)(H,21,31)(H2,11,12,13)(H2,18,19,29)/t4-,6-,7-,10-,27?,28?/m1/s1 |
| InChIKey | MVFYLDVKPSCFHM-WJWAJYMISA-N |
| Literature Reference Author | Y.AHMADIBENI,K.PARANG |
| Literature Reference Citation | ORG.LETTERS,7,5589(2005) |
| Literature Reference DOI | 10.1021/ol0521432 |
| Molecular Weight | 554.358 g/mol |
| Sample ID | 43566 |
| Solvent | DMSO-D6 |