Metabolite Glucose-6-phosphate
- Name
- Glucose-6-phosphate
- Description
- Not Available
- Structure
Structure for Glucose-6-phosphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- 56-73-5
- Weight
- Average: 260.135
Monoisotopic: 260.029718997 - Chemical Formula
- C6H13O9P
- InChI Key
- VFRROHXSMXFLSN-SLPGGIOYSA-N
- InChI
- InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
- IUPAC Name
- {[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl]oxy}phosphonic acid
- SMILES
- [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 159.6045446 predictedDarkChem Lite v0.1.0 [M-H]- 147.68001 predictedDeepCCS 1.0 (2019) [M+H]+ 159.0605446 predictedDarkChem Lite v0.1.0 [M+H]+ 150.07579 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.9625446 predictedDarkChem Lite v0.1.0 [M+Na]+ 156.87181 predictedDeepCCS 1.0 (2019) - External Links
- KEGG Compound
- C03251
- ChemSpider
- 388984
- ChEBI
- 15954
- ZINC
- ZINC000019850142
- PDBe Ligand
- G6Q
- Wikipedia
- Glucose_6-phosphate
- Predicted Properties
Property Value Source Water Solubility 21.7 mg/mL ALOGPS logP -1.8 ALOGPS logP -3.7 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 1.49 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 164.75 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 48.22 m3·mol-1 Chemaxon Polarizability 20.67 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon