AFO
Summary
Name: | octyl alpha-D-arabinofuranoside |
Synonyms: | octyl alpha-D-arabinoside octyl D-arabinoside; octyl arabinoside |
Formula: | C13 H26 O5 |
Formal charge: | 0 |
Formula weight: | 262.343 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | octyl alpha-D-arabinofuranoside |
OpenEye OEToolkits | 1.7.0 | (2R,3S,4S,5S)-2-(hydroxymethyl)-5-octoxy-oxolane-3,4-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(CCCCCCCC)C1OC(C(O)C1O)CO |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCCCOC1C(C(C(O1)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1 |
InChIKey | InChI | 1.03 | DULPXMOVQIYGDB-NDBYEHHHSA-N |