KDE
Summary
| Name: | prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid |
| Synonyms: | ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulosidonic acid; prop-2-en-1-yl 3-deoxy-L-gulo-oct-2-ulosidonic acid; prop-2-en-1-yl 3-deoxy-gulo-oct-2-ulosidonic acid |
| Formula: | C11 H18 O8 |
| Formal charge: | 0 |
| Formula weight: | 278.256 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-prop-2-enoxy-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(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)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C(O)=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)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | LEEKAQBTVJRLOA-WNPHYYBUSA-N |
