TOA

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Summary

Name:3-ammonio-3-deoxy-alpha-D-glucopyranose
Synonyms:3-DEOXY-3-AMINO GLUCOSE
3-ammonio-3-deoxy-alpha-D-glucose; 3-ammonio-3-deoxy-D-glucose; 3-ammonio-3-deoxy-glucose
Formula:C6 H14 N O5
Formal charge:1
Molecular weight:180.179 Da
Component type:D-saccharide, alpha linking

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-ammonio-3-deoxy-alpha-D-glucopyranose
OpenEye OEToolkits1.5.0[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]azanium
PDB-CARE1.0a-D-Glcp3N

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC1C([NH3+])C(O)C(OC1O)CO
SMILES_CANONICALCACTVS3.341[NH3+][C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
SMILESCACTVS3.341[NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)O)O)[NH3+])O)O
InChIInChI1.03InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1
InChIKeyInChI1.03BQCCAEOLPYCBAE-RXRWUWDJSA-O
170383
PDB entries from 2020-10-28