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Z4K

Summary
Name:2-O-sulfo-alpha-D-glucopyranose
Synonyms:2-O-sulfo-alpha-D-glucose
2-O-sulfo-D-glucose; 2-O-sulfo-glucose
Formula:C6 H12 O9 S
Formal charge:0
Formula weight:260.219 Da
Component type:D-saccharide, alpha linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-O-sulfo-alpha-D-glucopyranose
OpenEye OEToolkits1.7.6[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(OC1C(O)C(O)C(OC1O)CO)O
InChIInChI1.03InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyInChI1.03MOGKHCGKIJXABF-DVKNGEFBSA-N
SMILES_CANONICALCACTVS3.370OC[C@H]1O[C@H](O)[C@H](O[S](O)(=O)=O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)O)O

223790

数据于2024-08-14公开中

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