Ribose 5-phosphate (C5H11O8P): structure, properties and hazards

Names and identifiers

IUPAC name: [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Synonyms: R5P, ribose-5-phosphate, pentose phosphate pathway
+ 23 more
D-ribose 5'-phosphate, D-ribose-5-P, RefChem:937747, GlyTouCan:G46575RX, CHEBI:78679, DTXCID401326932, G46575RX, D-Ribose 5-phosphate, DTXSID10897600, D-ribofuranose 5-phosphate, CHEBI:52742, bmse000204, Epitope ID:581505, d-ribofuranose 5-O-phosphate, 5-O-Phosphono-D-ribofuranose, SCHEMBL708955, DTXSID101273647, {[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}phosphonic acid, D-ribofuranose 5-(dihydrogen phosphate), NS00015097, C00117, Q27123582, D-ribofuranose 5-phosphate (closed ring structure, partial stereochemistry)
Molecular formula: C₅H₁₁O₈P
Empirical formula: C₅H₁₁O₈P
Molecular weight: 230.11 g/mol
Exact mass: 230.01915
CAS number: 4300-28-1
PubChem CID: 439167
Canonical SMILES: C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O
InChI: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1
InChIKey: KTVPXOYAKDPRHY-SOOFDHNKSA-N
Molfile

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

Calculated

Heavy atoms: 14
Rings: 1
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 5
H-bond acceptors: 6 computed here · PubChem 8
Rotatable bonds: 3
TPSA (Å²): 136.7 computed here · PubChem 137
Formal charge: 0
XLogP3: -3.6 PubChem
Complexity: 238 PubChem
Stereocenters: 3 defined, 1 undefinedCIP: C2: undefined · C4: R · C11: S · C13: 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

C26.10%
H4.82%
O55.62%
P13.46%

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: -2.47 Crippen (Wildman and Crippen 1999)
log S (water solubility): 0.48 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.81 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 230.11
log P ≤ 5 (Crippen): -2.47
H-bond donors ≤ 5: 5
H-bond acceptors ≤ 10: 6

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: BLD Pharm, CymitQuimica, RR Scientific.

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]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.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.