Athanor by arbastro
download
Library

Fructose 6-phosphate

Athanor · official

C6H13O9P · 260.14 g/mol

IUPAC name: [(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

Also called F6P, Neuberg ester

MetabolitesCarbohydrates
Open in Athanor
The structure of Fructose 6-phosphate
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Synonyms
F6P, Neuberg ester, RefChem:937686
+ 16 more

GlyTouCan:G00100EG, CHEBI:78697, G00100EG, D-Fructose 6-phosphate, D-fructofuranose 6-phosphate, D-Fructose 6-phosphoric acid, 6-O-phosphono-D-fructofuranose, fructofuranose 6-phosphate, bmse000012, SCHEMBL1493046, CHEBI:61553, DTXSID001268467, D-Fructofuranose, 6-(dihydrogen phosphate), C00085, Q412043, D-fructofuranose 6-phosphate (closed ring structure)

Molecular formula
C6H13O9P
Empirical formula
C6H13O9P
Molecular weight
260.14 g/mol
Exact mass
260.02972
CAS number
643-13-0
PubChem CID
439160
Canonical SMILES
C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
Isomeric SMILES
C([C@@H]1[C@H]([C@@H](C(O1)(CO)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1
InChIKey
BGWGXPAPYGQALX-VRPWFDPXSA-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
4
TPSA (Ų)
156.9 computed here · PubChem 157
Formal charge
0
XLogP3
-3.9 PubChem
Complexity
290 PubChem
Stereocenters
3 defined, 1 undefinedCIP: C3: undefined · C6: R · C13: S · C15: S
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

100%260.0307.0%261.0332.1%262.034263.038

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)
0.77 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.19 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 260.13
  • 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: BLD Pharm, Alfa Chemistry, Clinivex.

Always read the supplier’s safety data sheet before working with it.

Spectra

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. [1]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  2. [2]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  5. ·Literature on PubChem

Data last updated 2026-10-14.