VOG

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Summary

Name:(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Synonyms:voglibose
Formula:C10 H21 N O7
Formal charge:0
Molecular weight:267.276 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
OpenEye OEToolkits2.0.6(1~{S},2~{S},3~{R},4~{S},5~{S})-5-[1,3-bis(oxidanyl)propan-2-ylamino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
InChIInChI1.03InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
InChIKeyInChI1.03FZNCGRZWXLXZSZ-CIQUZCHMSA-N
SMILES_CANONICALCACTVS3.385OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.385OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.6C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO
SMILESOpenEye OEToolkits2.0.6C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO