| SpectraBase Compound ID | Fr7TQP4KJ5R |
|---|---|
| InChI | InChI=1S/C18H22N5O8PS/c1-33-32(28,29)30-7-11-13(25)14(26)17(31-11)23-8-20-12-15(23)21-18(19)22(16(12)27)6-9-4-2-3-5-10(9)24/h2-5,8,11,13-14,17,24-26H,6-7H2,1H3,(H2,19,21)(H,28,29)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | ZFCQBXDHKDTUCD-MJFSBKNWSA-N |
| Mol Weight | 499.43 g/mol |
| Molecular Formula | C18H22N5O8PS |
| Exact Mass | 499.092671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEFg33pgmsc |
|---|---|
| Name | 1-OHBG-5'-SMP;1-(ORTHO-HYDROXYBENZYL)-GUANOSINE-5'-S-METHYL-PHOSHOROTHIOLATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H21N5O8PS |
| InChI | InChI=1S/C18H22N5O8PS/c1-33-32(28,29)30-7-11-13(25)14(26)17(31-11)23-8-20-12-15(23)21-18(19)22(16(12)27)6-9-4-2-3-5-10(9)24/h2-5,8,11,13-14,17,24-26H,6-7H2,1H3,(H2,19,21)(H,28,29)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | ZFCQBXDHKDTUCD-MJFSBKNWSA-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 | 498.427 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT7779 |