BDG

2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose

Created: 1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count5
Bond Count26
Aromatic Bond Count0
2D diagram of BDG

Chemical Component Summary

Name2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose
SynonymsO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE; 2,6-diamino-2,6-dideoxy-alpha-D-glucose; 2,6-diamino-2,6-dideoxy-D-glucose; 2,6-diamino-2,6-dideoxy-glucose
Systematic Name (OpenEye OEToolkits)(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)oxane-2,4,5-triol
FormulaC6 H14 N2 O4
Molecular Weight178.186
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC1C(O)C(OC(O)C1N)CN
SMILESCACTVS3.341NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)O)N)O)O)N
Canonical SMILESCACTVS3.341 NC[C@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N
InChIInChI1.03 InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeyInChI1.03 SQTHUUHOUPJYLK-UKFBFLRUSA-N

Related Resource References

Resource NameReference
PubChem 447575
ChEBI CHEBI:41105