A2B
Summary
| Name: | L-xylulofuranose-1,2-borate |
| Formula: | C5 H10 B O7 |
| Formal charge: | -1 |
| Formula weight: | 192.94 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | dihydroxy[beta-L-xylulofuranosato(2-)-kappa~2~O~2~,O~3~]borate(1-) |
| OpenEye OEToolkits | 1.9.2 | (1R,5S,8S)-5-(hydroxymethyl)-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 | OCC21C(O[B-](O1)(O)O)C(O)CO2 |
| InChI | InChI | 1.03 | InChI=1S/C5H10BO7/c7-2-5-4(3(8)1-11-5)12-6(9,10)13-5/h3-4,7-10H,1-2H2/q-1/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | HLBKGCVZIOGTKY-VPENINKCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@]12OC[C@H](O)[C@H]1O[B-](O)(O)O2 |
| SMILES | CACTVS | 3.385 | OC[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)CO)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | [B-]1(OC2C(COC2(O1)CO)O)(O)O |
