Glucose 6-phosphate
Athanor · official
C6H13O9P · 260.14 g/mol
IUPAC name: [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Also called G6P, Robison ester, glucose-6-phosphate
Names and identifiers
- IUPAC name
- [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
- Synonyms
- G6P, Robison ester, glucose-6-phosphate
+ 34 more
{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid, [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate, (((2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl)methoxy)phosphonic acid, ((2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl)methyl dihydrogen phosphate, RefChem:663123, GlyTouCan:G97131OU, DTXCID401777212, G97131OU, DTXSID10889328, 6-O-phosphono-D-glucopyranose, D-glucopyranose 6-phosphate, D-glucopyranose 6-(dihydrogen phosphate), D-Glucose 6-Phosphate Solution (1M in H2O), D-Glucose 6-Phosphate; Glucose 6-Phosphate; Robison Ester, D-glucose-6P, Glc6P, D-glucose-6-P, a-D-glucose 6- phosphate, SCHEMBL48379, alpha-D-Glucose 6- phosphate, CHEBI:4170, GTPL4647, CHEMBL4283156, D-Glucose-6-dihydrogen phosphate, NBSCHQHZLSJFNQ-GASJEMHNSA-N, DTXSID101273823, NS00015226, C00092, D-Glucose, 6-(dihydrogen phosphate) (8CI,9CI), BRD-A73427433-240-01-3, Q36461529, 962672D2-8750-46FD-9A76-E598AA2319DA, (3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methoxyphosphonic acid, D-glucopyranose 6-phosphate (closed ring structure, incomplete stereochemistry)
- Molecular formula
- C6H13O9P
- Empirical formula
- C6H13O9P
- Molecular weight
- 260.14 g/mol
- Exact mass
- 260.02972
- CAS number
- 56-73-5
- PubChem CID
- 5958
- Canonical SMILES
- C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
- Isomeric SMILES
- C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)(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
- InChIKey
- NBSCHQHZLSJFNQ-GASJEMHNSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 16
- Rings
- 1
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 1
- H-bond donors
- 6
- H-bond acceptors
- 7 computed here · PubChem 9
- Rotatable bonds
- 3
- TPSA (Ų)
- 156.9 computed here · PubChem 157
- Formal charge
- 0
- XLogP3
- -4.2 PubChem
- Complexity
- 277 PubChem
- Stereocenters
- 4 defined, 1 undefinedCIP: C2: undefined · C4: R · C11: S · C13: S · C15: R
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C27.70%
- H5.04%
- O55.35%
- P11.91%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -3.1 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.7 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.91 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 260.14
- log P ≤ 5 (Crippen): -3.1
- H-bond donors ≤ 5: 6
- H-bond acceptors ≤ 10: 7
Breaks 1 of the four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: CymitQuimica, J&H Chemical Co.,ltd, BOC Sciences.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRHuman Metabolome Database (HMDB) (Varian · 600 MHz · Water)
- 13C NMRHuman Metabolome Database (HMDB) (Bruker · 125 MHz · Water)
- 1H-1H NMRHuman Metabolome Database (HMDB)
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · Water)
- GC-MSHuman Metabolome Database (HMDB) (GC-MS) · Human Metabolome Database (HMDB) (GC-MS) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-MS)
- MS-MSHuman Metabolome Database (HMDB) (Quattro_QQQ · N/A) · Human Metabolome Database (HMDB) (Quattro_QQQ · N/A) · Human Metabolome Database (HMDB) (Quattro_QQQ · N/A) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative)
- LC-MSMassBank Europe (Agilent 6530 QTOF · LC-ESI-QTOF · POSITIVE) · MassBank Europe (maXis plus UHR-ToF-MS, Bruker Daltonics · LC-ESI-QTOF · POSITIVE) · MassBank Europe (maXis plus UHR-ToF-MS, Bruker Daltonics · LC-ESI-QTOF · POSITIVE) · MassBank Europe (maXis plus UHR-ToF-MS, Bruker Daltonics · LC-ESI-QTOF · POSITIVE) · MassBank Europe (maXis plus UHR-ToF-MS, Bruker Daltonics · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (maXis plus UHR-ToF-MS, Bruker Daltonics · LC-ESI-QTOF · NEGATIVE)
- Other MSMassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [2]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [3]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.