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SOR

Summary
Name:sorbitol
Synonyms:D-sorbitol
D-glucitol
Formula:C6 H14 O6
Formal charge:0
Formula weight:182.172 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04D-glucitol
OpenEye OEToolkits1.5.0(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(C(O)CO)C(O)C(O)CO
SMILES_CANONICALCACTVS3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
SMILESCACTVS3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(CO)O)O)O)O)O
InChIInChI1.03InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyInChI1.03FBPFZTCFMRRESA-JGWLITMVSA-N

218196

数据于2024-04-10公开中

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