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Glyceraldehyde 3-phosphate

Athanor · official

C3H7O6P · 170.06 g/mol

IUPAC name: [(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate

Also called GAP, G3P, triose phosphate

MetabolitesCarbohydrates
Open in Athanor
The structure of Glyceraldehyde 3-phosphate
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate
Synonyms
GAP, G3P, triose phosphate
+ 38 more

d-glyceraldehyde 3-phosphate, Triose phosphate, TD9ZNF8JPW, (2R)-2-Hydroxy-3-(phosphonooxy)-propanal, 3-Phosphoglyceraldehyde, D-, (2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate, CHEBI:29052, RefChem:130616, GlyTouCan:G53764RY, G53764RY, (2-hydroxy-3-oxopropoxy)phosphonic acid, glyceraldehyde-3-phosphate, D-glyceraldehyde-3-phosphate, (R)-2-Hydroxy-3-oxopropyl dihydrogen phosphate, propanal, 2-hydroxy-3-(phosphonooxy)-, (2R)-, [(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate, glyceraldehyde-P, 3-Phosphoglyceraldehyde, (+)-, CHEMBL1232918, glyceraldehyde-3-P, 2-Hydroxy-3-(phosphonooxy)propanal, (2R)-, Propanal, 2-hydroxy-3-(phosphonooxy)-, (R)-, D-glyceraldehyde-3-P, glyceraldehyde-phosphate, G3H, Glyceraldehyde, 3-(dihydrogen phosphate), D- (8CI), Propanal, 2-hydroxy-3-(phosphonooxy)-, starbld0026332, UNII-TD9ZNF8JPW, SCHEMBL328992, orb1982483, DTXSID70331398, AAA59157, 2-hydroxy-3-(phosphonooxy)-Propanal, BDBM50420199, DB02263, MSK170527-100A, HY-151223

Molecular formula
C3H7O6P
Empirical formula
C3H7O6P
Molecular weight
170.06 g/mol
Exact mass
169.99802
CAS number
591-57-1
PubChem CID
439168
Canonical SMILES
C(C(C=O)O)OP(=O)(O)O
Isomeric SMILES
C([C@H](C=O)O)OP(=O)(O)O
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKey
LXJXRIRHZLFYRP-VKHMYHEASA-N
Molfile

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

Calculated

Heavy atoms
10
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.67
H-bond donors
3
H-bond acceptors
4 computed here · PubChem 6
Rotatable bonds
4
TPSA (Ų)
104.1 computed here · PubChem 104
Formal charge
0
XLogP3
-2.7 PubChem
Complexity
149 PubChem
Stereocenters
1 definedCIP: C3: 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

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

Isotope pattern

100%169.9983.5%171.0011.3%172.002

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
-1.34 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.22 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.82 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 170.06
  • log P ≤ 5 (Crippen): -1.34
  • H-bond donors ≤ 5: 3
  • H-bond acceptors ≤ 10: 4

Passes all 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: RR Scientific, AbaChemScene, Molport.

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

Data last updated 2026-10-14.