FVQ
Summary
| Name: | 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside |
| Synonyms: | 3-pyridin-3-ylprop-2-yn-1-yl alpha-D-mannopyranoside D-MANNOSE ALPHA1O-PROPYNYL PYRIDINE; 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannoside; 3-(pyridin-3-yl)prop-2-yn-1-yl D-mannoside; 3-(pyridin-3-yl)prop-2-yn-1-yl mannoside |
| Formula: | C14 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 295.288 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside |
| OpenEye OEToolkits | 1.9.2 | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-pyridin-3-ylprop-2-ynoxy)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(#Cc1cccnc1)COC2OC(C(O)C(O)C2O)CO |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO6/c16-8-10-11(17)12(18)13(19)14(21-10)20-6-2-4-9-3-1-5-15-7-9/h1,3,5,7,10-14,16-19H,6,8H2/t10-,11-,12+,13+,14+/m1/s1 |
| InChIKey | InChI | 1.03 | GMPRLXFHQUHVDW-DGTMBMJNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](OCC#Cc2cccnc2)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](OCC#Cc2cccnc2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C#CCOC2C(C(C(C(O2)CO)O)O)O |
