Summary
Name: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
Synonyms: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose |
Formula: | C6 H13 N O11 S2 |
Formal charge: | 0 |
Formula weight: | 339.298 Da |
Component type: | D-saccharide, alpha linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
OpenEye OEToolkits | 1.7.6 | [(2S,3R,4R,5S,6R)-2,4,5-tris(oxidanyl)-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid |
GMML | 1.0 | DGlcpNS[6S]a |
GMML | 1.0 | N-sulfo-6-sulfo-a-D-glucopyranose |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1 |
InChIKey | InChI | 1.03 | DQTRACMFIGDHSN-UKFBFLRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
SMILES | CACTVS | 3.385 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |