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R7R

Summary
Name:sulfoquinovose
Synonyms:[(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid
Formula:C6 H12 O8 S
Formal charge:0
Formula weight:244.22 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyInChI1.06QFBWOLBPVQLZEH-DVKNGEFBSA-N
SMILES_CANONICALCACTVS3.385O[C@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.385O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O

224931

数据于2024-09-11公开中

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