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U9G

Summary
Name:2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
Formula:C8 H16 O9 S
Formal charge:0
Formula weight:288.272 Da
Component type:D-saccharide, alpha linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
OpenEye OEToolkits2.0.7[(2~{R},3~{R},4~{S},5~{R},6~{S})-4,5-dimethoxy-3,6-bis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O
InChIInChI1.03InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1
InChIKeyInChI1.03SYRNRUURZIIPLL-CBQIKETKSA-N
SMILES_CANONICALCACTVS3.385CO[C@H]1[C@@H](O)O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@@H]1OC
SMILESCACTVS3.385CO[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O
SMILESOpenEye OEToolkits2.0.7COC1C(C(OC(C1OC)O)COS(=O)(=O)O)O

224931

PDB entries from 2024-09-11

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