A1APC
6-O-sulfo-alpha-D-galactopyranose
Created: | 2024-04-20 |
Last modified: | 2025-08-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 5 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 6-O-sulfo-alpha-D-galactopyranose |
Systematic Name (OpenEye OEToolkits) | [(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate |
Formula | C6 H12 O9 S |
Molecular Weight | 260.219 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1C(O)C(COS(=O)(=O)O)OC(O)C1O |
SMILES | CACTVS | 3.385 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)O)O)O)O)OS(=O)(=O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@H](O)[C@H]1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OS(=O)(=O)O |
InChI | InChI | 1.06 | InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m1/s1 |
InChIKey | InChI | 1.06 | OKUVUONOJCDUJY-PHYPRBDBSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 439386 |
ChEBI | CHEBI:28525 |