![(2-R,3-R,4-R,5-R)-2-(7-AMINO-5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-5-(BENZOYLOXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE](/api/spectrum/DliAtdovm5y/structure.png?h=300&w=458 "(2-R,3-R,4-R,5-R)-2-(7-AMINO-5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-5-(BENZOYLOXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE")
| SpectraBase Compound ID | K33olptegwu |
|---|---|
| InChI | InChI=1S/C36H36N6O7S/c1-2-3-4-14-21-50-36-38-30(37)27-31(39-36)42(41-40-27)32-29(49-35(45)25-19-12-7-13-20-25)28(48-34(44)24-17-10-6-11-18-24)26(47-32)22-46-33(43)23-15-8-5-9-16-23/h5-13,15-20,26,28-29,32H,2-4,14,21-22H2,1H3,(H2,37,38,39) |
| InChIKey | SSDANLUTJBJYCQ-UHFFFAOYSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C36H36N6O7S |
| Exact Mass | 696.236619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DliAtdovm5y |
|---|---|
| Name | (2-R,3-R,4-R,5-R)-2-(7-AMINO-5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-5-(BENZOYLOXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36N6O7S |
| InChI | InChI=1S/C36H36N6O7S/c1-2-3-4-14-21-50-36-38-30(37)27-31(39-36)42(41-40-27)32-29(49-35(45)25-19-12-7-13-20-25)28(48-34(44)24-17-10-6-11-18-24)26(47-32)22-46-33(43)23-15-8-5-9-16-23/h5-13,15-20,26,28-29,32H,2-4,14,21-22H2,1H3,(H2,37,38,39) |
| InChIKey | SSDANLUTJBJYCQ-UHFFFAOYSA-N |
| Literature Reference Author | I.GILLERMAN,B.FISCHER |
| Literature Reference Citation | J.MED.CHEM.,54,107(2011) |
| Literature Reference DOI | 10.1021/jm101286g |
| Molecular Weight | 696.778 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ47125 |