7NU
Summary
| Name: | phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptopyranoside |
| Synonyms: | Phenyl 6,7-dideoxy-6,7-epoxy-beta-D-galacto-heptopyranoside(6D) phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptoside; phenyl 6,7-anhydro-D-glycero-D-galacto-heptoside; phenyl 6,7-anhydro-D-glycero-galacto-heptoside |
| Formula: | C13 H16 O6 |
| Formal charge: | 0 |
| Formula weight: | 268.263 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R})-oxiran-2-yl]-6-phenoxy-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16O6/c14-9-10(15)12(8-6-17-8)19-13(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | BGULDTQQEDQGRU-LREJFELKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H](O)[C@@H](O[C@H]([C@H]2CO2)[C@@H]1O)Oc3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]([CH]2CO2)[CH]1O)Oc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)OC2C(C(C(C(O2)C3CO3)O)O)O |
