KDR
Summary
| Name: | prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside |
| Synonyms: | prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside prop-2-en-1-yl 3-deoxy-D-manno-octos-2-uloside; prop-2-en-1-yl 3-deoxy-manno-octos-2-uloside |
| Formula: | C11 H18 O7 |
| Formal charge: | 0 |
| Formula weight: | 262.256 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-prop-2-enoxy-oxane-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC1(OC\C=C)OC(C(O)CO)C(O)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C=O |
| InChI | InChI | 1.03 | InChI=1S/C11H18O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h2,6-10,12,14-16H,1,3-5H2/t7-,8-,9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | FRBOGERKQAMFNA-ISUQUUIWSA-N |
