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Fructose 2,6-bisphosphate

Athanor · official

C6H14O12P2 · 340.12 g/mol

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

Also called F2,6BP, PFK-1 activator

MetabolitesCarbohydrates
Open in Athanor
The structure of Fructose 2,6-bisphosphate
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate
Synonyms
F2,6BP, PFK-1 activator, D-fructofuranose 2,6-bisphosphate
+ 7 more

SCHEMBL5801784, CHEBI:78687, 2,6-di-O-phosphono-D-fructofuranose, D-Fructofuranose,2,6-bis(dihydrogenphosphate), D-fructofuranose 2,6-bis(dihydrogen phosphate), Q27147912, 02226578-1B14-45D3-B583-903E4EE931B0

Molecular formula
C6H14O12P2
Empirical formula
C3H7O6P
Molecular weight
340.12 g/mol
Exact mass
339.99605
CAS number
79082-92-1
PubChem CID
45109803
Canonical SMILES
C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
Isomeric SMILES
C([C@@H]1[C@H]([C@@H](C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1
InChIKey
YXWOAJXNVLXPMU-VRPWFDPXSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
20
Rings
1
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
7
H-bond acceptors
8 computed here · PubChem 12
Rotatable bonds
6
TPSA (Ų)
203.4 computed here · PubChem 203
Formal charge
0
XLogP3
-5 PubChem
Complexity
428 PubChem
Stereocenters
3 defined, 1 undefinedCIP: C3: undefined · C10: R · C17: S · C19: 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

  • C21.19%
  • H4.15%
  • O56.45%
  • P18.21%

Isotope pattern

100%339.9967.1%341.0002.7%342.000343.004

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
-2.99 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.33 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.47 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 340.11
  • log P ≤ 5 (Crippen): -2.99
  • H-bond donors ≤ 5: 7
  • H-bond acceptors ≤ 10: 8

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: J&H Chemical Co.,ltd, RR Scientific, BLD Pharm.

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

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.