Obsolete: 4EX
Summary
| Name: | (3~{a}~{S},6~{S},6~{a}~{R})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{H}-furo[2,3-d][1,3,2]dioxaborol-6-ol |
| Formula: | C5 H10 B O6 |
| Formal charge: | 0 |
| Formula weight: | 176.94 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3aS,6S,6aR)-3a-methyl-2,2-bis(oxidanyl)-6,6a-dihydro-5H-furo[2,3-d][1,3,2]dioxaborol-6-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | OWQXKULJXBGEGX-VPENINKCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12OC[C@H](O)[C@H]1O[B](O)(O)O2 |
| SMILES | CACTVS | 3.385 | C[C]12OC[CH](O)[CH]1O[B](O)(O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B1(OC2C(COC2(O1)C)O)(O)O |
