BNX

2-O-phosphono-beta-D-glucopyranose

Created:	2014-09-18
Last modified:	2020-07-17

Find Related PDB Entry
3 entries where BNX is found as a standalone ligand2 entries where BNX is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	5
Bond Count	29
Aromatic Bond Count	0

2D diagram of BNX

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-O-phosphono-beta-D-glucopyranose
Synonyms	2-O-phosphono-beta-D-glucose; 2-O-phosphono-D-glucose; 2-O-phosphono-glucose
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate
Formula	C₆ H₁₃ O₉ P
Molecular Weight	260.136
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
SMILES	CACTVS	3.385	OC[CH]1O[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C(C1C(C(C(C(O1)O)OP(=O)(O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey	InChI	1.03	SIUIENVKPUKAHD-VFUOTHLCSA-N

Related Resource References

Resource Name	Reference
PubChem	91827287

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.