G16
Summary
Name: | 1,6-di-O-phosphono-alpha-D-glucopyranose |
Synonyms: | ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE 1,6-di-O-phosphono-alpha-D-glucose; 1,6-di-O-phosphono-D-glucose; 1,6-di-O-phosphono-glucose |
Formula: | C6 H13 O12 P2 |
Formal charge: | -1 |
Formula weight: | 339.108 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose |
OpenEye OEToolkits | 1.5.0 | [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] hydrogen phosphate |
PDB-CARE | 1.0 | a-D-Glcp1PO36PO3 |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O |
SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1 |
InChIKey | InChI | 1.03 | RWHOZGRAXYWRNX-VFUOTHLCSA-M |