TLW
Summary
| Name: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
| Formula: | C8 H14 O7 |
| Formal charge: | 0 |
| Formula weight: | 222.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | ANWKOKWAJKGXFO-NYMZXIIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@H]1O[C@H](C[C@@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH]1O[CH](C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(OC1C(=O)O)C(CO)O)O)O |
