| SpectraBase Spectrum ID |
Ae1oNWBqvCI |
| Name |
(1R,2R,3R,4S,6R)-4-Azido-1,2-di-o-benzyl-6-[(benzyloxy)methyl]-3-o-(trifluoromethylsulfonyl)-1,2,3-cyclohexanetriol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
605.180741355 u |
| Formula |
C29H30F3N3O6S |
| InChI |
InChI=1S/C29H30F3N3O6S/c30-29(31,32)42(36,37)41-27-25(34-35-33)16-24(20-38-17-21-10-4-1-5-11-21)26(39-18-22-12-6-2-7-13-22)28(27)40-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25+,26-,27-,28-/m1/s1 |
| InChIKey |
CGAQGSPMQDCUTO-CRWBFSFISA-N |
| Molecular Weight |
605.629 g/mol |
| SMILES |
[C@@]1(OS(C(F)(F)F)(=O)=O)([C@@]([C@](OCC2=CC=CC=C2)([C@](C[C@@]1(N=[N+]=[N-])[H])(COCC1=CC=CC=C1)[H])[H])(OCC=1C=CC=CC1)[H])[H] |
![(1R,2R,3R,4S,6R)-4-Azido-1,2-di-o-benzyl-6-[(benzyloxy)methyl]-3-o-(trifluoromethylsulfonyl)-1,2,3-cyclohexanetriol](/api/spectrum/Ae1oNWBqvCI/structure.png?h=300&w=458 "(1R,2R,3R,4S,6R)-4-Azido-1,2-di-o-benzyl-6-[(benzyloxy)methyl]-3-o-(trifluoromethylsulfonyl)-1,2,3-cyclohexanetriol")
