YX0
Summary
| Name: | [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside |
| Synonyms: | [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucoside; [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl L-fucoside; [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl fucoside |
| Formula: | C12 H19 N O7 |
| Formal charge: | 0 |
| Formula weight: | 289.282 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R,5S,6S)-2-[[(3E)-3-(1-hydroxyethylidene)-1,2-oxazol-5-yl]methoxy]-6-methyl-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CC=1ONC(=C(\O)C)\C=1)C2OC(C(O)C(O)C2O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1O[C@@H](OCC2=C\C(NO2)=C(C)/O)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](OCC2=CC(NO2)=C(C)O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(O1)OCC2=CC(=C(C)O)NO2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO7/c1-5(14)8-3-7(20-13-8)4-18-12-11(17)10(16)9(15)6(2)19-12/h3,6,9-17H,4H2,1-2H3/b8-5+/t6-,9+,10+,11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | DQRDRRBASDQFKR-AWJQDWPASA-N |
