TOC
Summary
Name: | 2,6-diammonio-2,3,6-trideoxy-alpha-D-glucopyranose |
Synonyms: | 2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE 2,6-diammonio-2,3,6-trideoxy-alpha-D-glucose; 2,6-diammonio-2,3,6-trideoxy-D-glucose; 2,6-diammonio-2,3,6-trideoxy-glucose |
Formula: | C6 H16 N2 O3 |
Formal charge: | 2 |
Formula weight: | 164.203 Da |
Component type: | D-saccharide, alpha linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2,6-diammonio-2,3,6-trideoxy-alpha-D-ribo-hexopyranose |
OpenEye OEToolkits | 1.5.0 | [(2S,3R,5S,6R)-6-(azaniumylmethyl)-2,5-dihydroxy-oxan-3-yl]azanium |
PDB-CARE | 1.0 | a-D-3-deoxy-GlcpN6N |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(OC(O)C([NH3+])C1)C[NH3+] |
SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]C[C@H]1O[C@H](O)[C@H]([NH3+])C[C@@H]1O |
SMILES | CACTVS | 3.341 | [NH3+]C[CH]1O[CH](O)[CH]([NH3+])C[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+] |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC(C1O)C[NH3+])O)[NH3+] |
InChI | InChI | 1.03 | InChI=1S/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6+/m1/s1 |
InChIKey | InChI | 1.03 | CEGXIUROHCNLCL-MOJAZDJTSA-P |