KG1
Summary
| Name: | propadienyl 6-deoxy-alpha-L-galactopyranoside |
| Synonyms: | propargyl-fucoside propadienyl 6-deoxy-alpha-L-galactoside; propadienyl 6-deoxy-L-galactoside; propadienyl 6-deoxy-galactoside |
| Formula: | C9 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 202.204 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-propa-1,2-dienoxy-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | ZGNQHYGPHWSZCN-JTPBWFLFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@@H](O[CH]=[C]=[CH2])[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](O[CH]=[C]=[CH2])[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=C=C)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(C(O1)OC=C=C)O)O)O |
