SpectraBase Spectrum ID |
FqKcmwpx0ai |
Name |
Phenyl 2-azido-3,4,6-tri-o-acetyl-2-deoxy-1-selenogalactopyranoside |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
471.054472021 u |
Formula |
C18H21N3O7Se |
InChI |
InChI=1S/C18H21N3O7Se/c1-10(22)25-9-14-16(26-11(2)23)17(27-12(3)24)15(20-21-19)18(28-14)29-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3/t14-,15-,16+,17-,18?/m1/s1 |
InChIKey |
SNFHHKWJGMICKN-IHAUNJBESA-N |
Molecular Weight |
470.352 g/mol |
SMILES |
[C@@]1([C@](C([Se]C=2C=CC=CC2)O[C@@]([C@@]1(OC(=O)C)[H])(COC(=O)C)[H])(N=[N+]=[N-])[H])(OC(=O)C)[H] |