2M8
Summary
| Name: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid |
| Synonyms: | 2-O-ALPHA-MANNOSYL-D-GLYCERATE (2R)-3-hydroxy-2-(alpha-D-mannosyloxy)propanoic acid; (2R)-3-hydroxy-2-(D-mannosyloxy)propanoic acid; (2R)-3-hydroxy-2-(mannosyloxy)propanoic acid |
| Formula: | C9 H16 O9 |
| Formal charge: | 0 |
| Formula weight: | 268.218 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | DDXCFDOPXBPUJC-SAYMMRJXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](O[C@H](CO)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O |
