A1Q
Summary
| Name: | methyl L-glycero-alpha-D-manno-heptopyranoside |
| Synonyms: | ALPHA-METHYL HEPTOPYRANOSE methyl L-glycero-alpha-D-manno-heptoside; methyl L-glycero-D-manno-heptoside; methyl L-glycero-manno-heptoside |
| Formula: | C8 H16 O7 |
| Formal charge: | 0 |
| Formula weight: | 224.208 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranoside |
| OpenEye OEToolkits | 1.9.2 | (2R,3S,4S,5S,6S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-6-methoxy-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(O)C(OC1OC)C(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3-,4-,5-,6-,7+,8-/m0/s1 |
| InChIKey | InChI | 1.03 | GJUAFBSAJCBGRU-IHKZFYOVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC1C(C(C(C(O1)C(CO)O)O)O)O |
