A1B
Summary
| Name: | 1-deoxy-alpha-L-xylulofuranose-1,2-borate |
| Formula: | C5 H10 B O6 |
| Formal charge: | -1 |
| Formula weight: | 176.94 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1-deoxy-beta-L-xylulofuranosato(2-)-kappa~2~O~2~,O~3~](dihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.9.2 | (1R,5S,8S)-5-methyl-3,3-bis(oxidanyl)-2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octan-8-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C21O[B-](OC1(OCC2O)C)(O)O |
| 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/q-1/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | GNABZUZRGYHKDZ-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 | 1.9.2 | [B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | [B-]1(OC2C(COC2(O1)C)O)(O)O |
