KME
Summary
| Name: | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid |
| Synonyms: | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-D-manno-oct-2-ulosidonic acid; (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-manno-oct-2-ulosidonic acid |
| Formula: | C12 H20 O8 |
| Formal charge: | 0 |
| Formula weight: | 292.282 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid |
| OpenEye OEToolkits | 1.6.1 | (2R,4R,5R,6S)-4,5-dihydroxy-6-[(1R)-2-hydroxy-1-methoxy-ethyl]-2-[(E)-prop-1-enoxy]oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C(OC)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(O\C=C\C)C(O)=O |
| SMILES | CACTVS | 3.352 | CO[CH](CO)[CH]1O[C](C[CH](O)[CH]1O)(OC=CC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC=COC1(CC(C(C(O1)C(CO)OC)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H20O8/c1-3-4-19-12(11(16)17)5-7(14)9(15)10(20-12)8(6-13)18-2/h3-4,7-10,13-15H,5-6H2,1-2H3,(H,16,17)/b4-3+/t7-,8-,9-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | HGSGCVUFLKROQP-PPCCDUSGSA-N |
