C1K

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Summary

Name:(1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
Formula:C12 H23 N O4
Formal charge:0
Molecular weight:245.315 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
OpenEye OEToolkits1.9.2(1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC2C(NC1CCCCC1)C(C(O)C2O)CO
InChIInChI1.03InChI=1S/C12H23NO4/c14-6-8-9(11(16)12(17)10(8)15)13-7-4-2-1-3-5-7/h7-17H,1-6H2/t8-,9+,10+,11-,12-/m0/s1
InChIKeyInChI1.03ODXSPHZWZNYGJU-KNZXXDILSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1NC2CCCCC2
SMILESCACTVS3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH]1NC2CCCCC2
SMILES_CANONICALOpenEye OEToolkits1.9.2C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
SMILESOpenEye OEToolkits1.9.2C1CCC(CC1)NC2C(C(C(C2O)O)O)CO