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OX2

Summary
Name:(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
Synonyms:2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE
Formula:C9 H14 N2 O6
Formal charge:0
Formula weight:246.217 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
OpenEye OEToolkits1.5.0(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC1C(O)C(O)C(OC1CO)c2nnc(o2)C
SMILES_CANONICALCACTVS3.341Cc1oc(nn1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
SMILESCACTVS3.341Cc1oc(nn1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0Cc1nnc(o1)C2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
InChIKeyInChI1.03HCSFWJQLIPWUFZ-JAJWTYFOSA-N

223532

건을2024-08-07부터공개중

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