KTU
Summary
| Name: | prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid |
| Synonyms: | prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid prop-2-en-1-yl 3,5-dideoxy-D-threo-oct-5-en-2-ulosidonic acid; prop-2-en-1-yl 3,5-dideoxy-threo-oct-5-en-2-ulosidonic acid |
| Formula: | C11 H16 O7 |
| Formal charge: | 0 |
| Formula weight: | 260.241 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-2-prop-2-enoxy-3,4-dihydropyran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=C\COC1(C(O)=O)OC(C(CO)O)=CC(C1)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16O7/c1-2-3-17-11(10(15)16)5-7(13)4-9(18-11)8(14)6-12/h2,4,7-8,12-14H,1,3,5-6H2,(H,15,16)/t7-,8+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | SDKKPKVWEQUWPM-VAOFZXAKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)C1=C[C@H](O)C[C@@](OCC=C)(O1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)C1=C[CH](O)C[C](OCC=C)(O1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCOC1(CC(C=C(O1)C(CO)O)O)C(=O)O |
