GU4
Summary
Name: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose |
Synonyms: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucose 2,3,4,6-tetra-O-sulfonato-D-glucose; 2,3,4,6-tetra-O-sulfonato-glucose |
Formula: | C6 H12 O18 S4 |
Formal charge: | 0 |
Formula weight: | 500.409 Da |
Component type: | D-saccharide, alpha linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose |
OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{R},4~{S},5~{R},6~{R})-2-oxidanyl-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate |
GMML | 1.0 | DGlcp[2S,3S,4S,6S]a |
GMML | 1.0 | 2-sulfo-3-sulfo-4-sulfo-6-sulfo-a-D-glucopyranose |
PDB-CARE | 1.0 | a-D-Glcp2SO33SO34SO36SO3 |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1 |
InChIKey | InChI | 1.03 | SPIXVQOXHJQNTH-DVKNGEFBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=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[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |