Fructose 1-phosphate
Athanor · official
C6H13O9P · 260.14 g/mol
IUPAC name: [(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Also called F1P, fructose-1-phosphate
Names and identifiers
- IUPAC name
- [(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
- Synonyms
- F1P, fructose-1-phosphate, D-fructofuranose 1-phosphate
+ 10 more
D-fructofuranose 1-(dihydrogen phosphate), CHEBI:37515, RefChem:130524, GlyTouCan:G84356VP, G84356VP, 1-O-phosphono-D-fructofuranose, bmse000254, SCHEMBL27615853, C01094, Q27104412
- Molecular formula
- C6H13O9P
- Empirical formula
- C6H13O9P
- Molecular weight
- 260.14 g/mol
- Exact mass
- 260.02972
- CAS number
- 15978-08-2
- PubChem CID
- 439394
- Canonical SMILES
- C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O
- Isomeric SMILES
- C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)O
- InChI
- InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1
- InChIKey
- RHKKZBWRNHGJEZ-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: C7: undefined · C10: 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
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
- 4.26 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: Alfa Chemistry, J&H Chemical Co.,ltd.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRSpectraBase
- 13C NMRSpectraBase
- LC-MSMassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank of North America (MoNA) (API3000, Applied Biosystems · LC-ESI-QQ · negative) · MassBank of North America (MoNA) (API3000, Applied Biosystems · LC-ESI-QQ · negative)
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]SpectraBase · 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.