| SpectraBase Compound ID | FdHGfZOuEE8 |
|---|---|
| InChI | InChI=1S/2C18H24N5O7PS/c2*1-32-31(27,28)29-7-12-14(25)15(26)18(30-12)23-9-22-13-16(20-8-21-17(13)23)19-6-10-4-2-3-5-11(10)24/h2*2-5,8-9,12,14-15,18,24-28,31H,6-7H2,1H3,(H,19,20,21)/t2*12-,14-,15-,18-/m11/s1 |
| InChIKey | KPSROPSKLFMUSY-RFDXPXDJSA-N |
| Mol Weight | 970.9 g/mol |
| Molecular Formula | C36H48N10O14P2S2 |
| Exact Mass | 970.226813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4x1fACvJn9u |
|---|---|
| Name | N(6)-OHBA-5'-SMP;N(6)-(ORTHO-HYDROXYBENZYL)-ADENOSINE-5'-S-METHYL-PHOSPOROTHIOLATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42N10O14P2S2 |
| InChI | InChI=1S/2C18H24N5O7PS/c2*1-32-31(27,28)29-7-12-14(25)15(26)18(30-12)23-9-22-13-16(20-8-21-17(13)23)19-6-10-4-2-3-5-11(10)24/h2*2-5,8-9,12,14-15,18,24-28,31H,6-7H2,1H3,(H,19,20,21)/t2*12-,14-,15-,18-/m11/s1 |
| InChIKey | KPSROPSKLFMUSY-RFDXPXDJSA-N |
| Literature Reference Author | M.ETO,M.IIO,H.OMURA,M.ETO |
| Literature Reference Citation | AGR.BIOL.CHEM.,55,1999(1991) |
| Literature Reference DOI | 10.1271/bbb1961.55.1999 |
| Molecular Weight | 964.856 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT7778 |