25W

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Summary

Name:(1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol
Formula:C6 H13 N O4
Formal charge:0
Molecular weight:163.172 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol
OpenEye OEToolkits1.7.6(1R,2S,3S,4R,5S)-5-azanylcyclohexane-1,2,3,4-tetrol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1CC(N)C(O)C(O)C1O
InChIInChI1.03InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m0/s1
InChIKeyInChI1.03QXQNRSUOYNMXDL-KGJVWPDLSA-N
SMILES_CANONICALCACTVS3.385N[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N
SMILESOpenEye OEToolkits1.7.6C1C(C(C(C(C1O)O)O)O)N
169117
PDB entries from 2020-09-23