KO2
prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid
| Created: | 2008-01-18 |
| Last modified: | 2020-07-17 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 6 |
| Bond Count | 38 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid |
| Synonyms | prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid; prop-2-en-1-yl D-glycero-D-talo-oct-2-ulosidonic acid; prop-2-en-1-yl D-glycero-talo-oct-2-ulosidonic acid |
| Systematic Name (OpenEye OEToolkits) | (2R,3S,4S,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-2-prop-2-enoxy-oxane-2-carboxylic acid |
| Formula | C11 H18 O9 |
| Molecular Weight | 294.255 |
| Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(OC\C=C)OC(C(O)CO)C(O)C(O)C1O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[C](OCC=C)([CH](O)[CH](O)[CH]1O)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCOC1(C(C(C(C(O1)C(CO)O)O)O)O)C(=O)O |
| Canonical SMILES | CACTVS | 3.341 | OC[C@@H](O)[C@H]1O[C@](OCC=C)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1 |
| InChIKey | InChI | 1.03 | MJWRJGHIYDIAQR-RUEXUQCSSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 49867201 |
