Galactose 1-phosphate
Athanor · official
C6H13O9P · 260.14 g/mol
IUPAC name: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Also called Gal-1-P, galactose-1-phosphate, galactosaemia
Names and identifiers
- IUPAC name
- [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
- Synonyms
- Gal-1-P, galactose-1-phosphate, galactosaemia
+ 37 more
alpha-D-galactose-1-phosphate, RefChem:555518, alpha-D-Galactose 1-phosphate, 1-O-phosphono-alpha-D-galactopyranose, alpha-D-Galactosyl phosphate, alpha-D-Galactopyranosyl phosphate, alpha-D-galactopyranose, 1-(dihydrogen phosphate), [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate, 4Z9Z6N3GH4, alpha-D-Galactopyranose 1-phosphate, CHEBI:17973, .alpha.-D-Galactose 1-phosphate, galactose-1-P, alpha-D-Gal-1-P, (2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate, a-D-Galactose 1-phosphate, galactose-1P, Gal-1P, 1z4n, 1z4o, a-D-Galactosyl phosphate, bmse000151, Epitope ID:145001, Galactopyranose 1-phosphate, ?-D-Galactose-1-phosphate, UNII-4Z9Z6N3GH4, Galactopyranose, 1-phosphate, a-D-Galactopyranosyl phosphate, SCHEMBL285294, orb1987500, 1-phosphate a-D-Galactopyranose, DTXSID80177082, 1-(dihydrogen phosphate) Galactitol, MFCD00070670, Galactitol, 1-(dihydrogen phosphate), .ALPHA.-D-GALACTOSYL PHOSPHATE, AKOS027323695
- Molecular formula
- C6H13O9P
- Empirical formula
- C6H13O9P
- Molecular weight
- 260.14 g/mol
- Exact mass
- 260.02972
- CAS number
- 2255-14-3
- PubChem CID
- 123912
- Canonical SMILES
- C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
- Isomeric SMILES
- C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
- InChI
- InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
- InChIKey
- HXXFSFRBOHSIMQ-FPRJBGLDSA-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
- -3.8 PubChem
- Complexity
- 277 PubChem
- Stereocenters
- 5 definedCIP: C3: R · C5: R · C11: R · 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
- 3.86 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: Mcule, AstaTech, Inc., Alfa Chemistry.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRHuman Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 13C NMRHuman Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 31P NMRSpectraBase (Bruker WM-250)
- MS-MSHuman Metabolome Database (HMDB) (n/a · positive) · Human Metabolome Database (HMDB) (n/a · positive) · Human Metabolome Database (HMDB) (Orbitrap · positive) · Human Metabolome Database (HMDB) (Orbitrap · positive) · Human Metabolome Database (HMDB) (Orbitrap · positive) · Human Metabolome Database (HMDB) (Orbitrap · positive)
- LC-MSMassBank Europe (Agilent 6530 Q-TOF LC/MS · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (UPLC Q-Tof Premier, Waters · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (UPLC Q-Tof Premier, Waters · LC-ESI-QTOF · NEGATIVE) · MassBank of North America (MoNA) (UPLC Q-Tof Premier, Waters · LC-ESI-QTOF · ESI) · MassBank of North America (MoNA) (Q-Tof Premier, Waters · LC-Q-TOF/MS · ESI) · MassBank of North America (MoNA) (Q-Tof Premier, Waters · LC-Q-TOF/MS · ESI)
- 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]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [3]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [5]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.