GU6
Summary
| Name: | 2,3,6-tri-O-sulfo-alpha-D-glucopyranose |
| Synonyms: | 2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSE 2,3,6-tri-O-sulfo-alpha-D-glucose; 2,3,6-tri-O-sulfo-D-glucose; 2,3,6-tri-O-sulfo-glucose |
| Formula: | C6 H12 O15 S3 |
| Formal charge: | 0 |
| Formula weight: | 420.345 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,6-tri-O-sulfo-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4S,5R,6S)-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methyl hydrogen sulfate |
| GMML | 1.0 | DGlcp[2S,3S,6S]a |
| GMML | 1.0 | 2-sulfo-3-sulfo-6-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-Glcp2SO33SO36SO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(OS(=O)(O)=O)C(O)C(COS(=O)(O)=O)O1)OS(O)(=O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | GRHWGVDHRAZFMQ-DVKNGEFBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O |
