TVV
Summary
| Name: | 3-O-prop-2-yn-1-yl-beta-D-galactopyranose |
| Formula: | C9 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 218.204 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-O-prop-2-yn-1-yl-beta-D-galactopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-prop-2-ynoxy-oxane-2,3,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(O)C(O)C(C(C(O1)CO)O)OCC#C |
| InChI | InChI | 1.03 | InChI=1S/C9H14O6/c1-2-3-14-8-6(11)5(4-10)15-9(13)7(8)12/h1,5-13H,3-4H2/t5-,6+,7-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | IMIDRHABFPPKJX-QKCLAQEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OCC#C)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](OCC#C)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCOC1C(C(OC(C1O)O)CO)O |
