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 | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 5 |
Bond Count | 26 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose |
Synonyms | O-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 |
Formula | C6 H14 N2 O4 |
Molecular Weight | 178.186 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(O)C(OC(O)C1N)CN |
SMILES | CACTVS | 3.341 | NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)N)O)O)N |
Canonical SMILES | CACTVS | 3.341 | NC[C@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | SQTHUUHOUPJYLK-UKFBFLRUSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 447575 |
ChEBI | CHEBI:41105 |