| SpectraBase Spectrum ID |
4fP0fhFgZT9 |
| Name |
1-[3-(2-Bromophenyl)-2-thioureido]-1-deoxy-.beta.-d-glucopyranose 2,3,4,6-tetraacetate |
| Alternate Name(s) |
2,3,4,6-Tetra-O-acetyl-N-[(2-bromoanilino)carbothioyl]hexopyranosylamine
Acetic acid [(3S,6R)-3,4,5-triacetoxy-6-[(2-bromophenyl)thiocarbamoylamino]tetrahydropyran-2-yl]methyl ester |
| CAS Registry Number |
71454-63-2 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25BrN2O9S |
| InChI |
InChI=1S/C21H25BrN2O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-8-6-5-7-14(15)22/h5-8,16-20H,9H2,1-4H3,(H2,23,24,34)/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
PHDLJLBCUHARPE-OUUBHVDSSA-N |
| Molecular Weight |
561.400 g/mol |
| SMILES |
N([C@]1([C@@]([C@]([C@](OC(C)=O)([C@](O1)(COC(C)=O)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(=S)Nc1c(cccc1)Br |
| SPLASH |
splash10-0006-9200000000-502aebcfdcd9c89dbfe9 |
| Source of Spectrum |
CM-1999-3563-0 |
| Wiley ID |
465917 |
![1-[3-(2-Bromophenyl)-2-thioureido]-1-deoxy-.beta.-d-glucopyranose 2,3,4,6-tetraacetate](/api/spectrum/4fP0fhFgZT9/structure.png?h=300&w=458 "1-[3-(2-Bromophenyl)-2-thioureido]-1-deoxy-.beta.-d-glucopyranose 2,3,4,6-tetraacetate")
