AI2
Summary
| Name: | 3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL |
| Synonyms: | (2S,3R,4S)-2-METHYL-3,4-DIHYDROXY-OXOLAN-2,3-DIOXY-BORATE |
| Formula: | C5 H10 B O7 |
| Formal charge: | -1 |
| Formula weight: | 192.94 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | dihydroxy[(2S,3R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrolato(2-)-kappa~2~O~2~,O~3~]borate(1-) (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (1S,4S,5R)-7,7-dihydroxy-1-methyl-2,6,8-trioxa-7-boranuidabicyclo[3.3.0]octane-4,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C2(O[B-](OC2(OC1)C)(O)O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2 |
| SMILES | CACTVS | 3.341 | C[C]12OC[CH](O)[C]1(O)O[B-](O)(O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [B-]1(OC2(C(O1)(C(CO2)O)O)C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ACKRRKSNOOISSG-VPENINKCSA-N |
