A0K
Summary
| Name: | 1,3-dihydroxypropan-2-yl alpha-D-glucopyranoside |
| Synonyms: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol 1,3-dihydroxypropan-2-yl alpha-D-glucoside; 1,3-dihydroxypropan-2-yl D-glucoside; 1,3-dihydroxypropan-2-yl glucoside |
| Formula: | C9 H18 O8 |
| Formal charge: | 0 |
| Formula weight: | 254.234 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | AQTKXCPRNZDOJU-ZEBDFXRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OCC(CO)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C(O1)OC(CO)CO)O)O)O)O |
