glucose 6-phosphate   Click here for help

GtoPdb Ligand ID: 4647

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 3
Topological polar surface area 166.72
Molecular weight 260.03
XLogP -3.35
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC1OC(COP(=O)(O)O)C(C(C1O)O)O
Isomeric SMILES OC1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@H]1O)O)O
InChI InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChI Key NBSCHQHZLSJFNQ-GASJEMHNSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid
Database Links Click here for help
CAS Registry No. 56-73-5 (source: Scifinder)
ChEBI CHEBI:4170
GtoPdb PubChem SID 178101364
PubChem CID 5958
Search Google for chemical match using the InChIKey NBSCHQHZLSJFNQ-GASJEMHNSA-N
Search Google for chemicals with the same backbone NBSCHQHZLSJFNQ
Search UniChem for chemical match using the InChIKey NBSCHQHZLSJFNQ-GASJEMHNSA-N
Search UniChem for chemicals with the same backbone NBSCHQHZLSJFNQ
Wikipedia Glucose_6-phosphate