1AR
Summary
| Name: | 4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE |
| Formula: | C9 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 204.22 Da |
| Component type: | L-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC1C(OC(O)CC1(O)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1O[C@H](O)C[C@](C)(O)[C@H]1OC(C)=O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](O)C[C](C)(O)[CH]1OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(CC(O1)O)(C)O)OC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | YJOQPCPEUGDGFS-ZITKLIBNSA-N |
