HNV
Summary
| Name: | 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside |
| Synonyms: | 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannoside 3-(4-methoxyphenyl)prop-2-yn-1-yl D-mannoside; 3-(4-methoxyphenyl)prop-2-yn-1-yl mannoside |
| Formula: | C16 H20 O7 |
| Formal charge: | 0 |
| Formula weight: | 324.326 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside |
| OpenEye OEToolkits | 1.9.2 | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[3-(4-methoxyphenyl)prop-2-ynoxy]oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(#Cc1ccc(OC)cc1)COC2OC(C(O)C(O)C2O)CO |
| InChI | InChI | 1.03 | InChI=1S/C16H20O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h4-7,12-20H,8-9H2,1H3/t12-,13-,14+,15+,16+/m1/s1 |
| InChIKey | InChI | 1.03 | UYJNIDIDTZJFNU-OWYFMNJBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C#CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C#CCO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C#CCOC2C(C(C(C(O2)CO)O)O)O |
