Ribose 1-phosphate (C5H11O8P): structure, properties and hazards

Names and identifiers

IUPAC name: [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
Synonyms: R1P, ribose-1-phosphate, RefChem:883600
+ 23 more
alpha-D-Ribose 1-phosphate, 1-O-phosphono-alpha-D-ribofuranose, alpha-D-ribofuranose 1-(dihydrogen phosphate), D-ribose-1-phosphate, alpha-D-ribose-1-phosphate, alpha-D-ribofuranose 1-phosphate, D-ribose-1P, ribofuranose 1-phosphate, a-D-ribose 1-phosphate, D-ribofuranose 1-phosphate, 1-phospho-alpha-D-ribofuranose, CHEMBL603367, SCHEMBL1995711, CHEBI:16300, YXJDFQJKERBOBM-TXICZTDVSA-N, DB03101, [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate, {[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid, a-D-ribofuranose 1-(dihydrogen phosphate), NS00015245, C00620, Q18213356, RIBOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-ribose; 1-O-phosphono-D-ribose; 1-O-phosphono-ribose
Molecular formula: C₅H₁₁O₈P
Empirical formula: C₅H₁₁O₈P
Molecular weight: 230.11 g/mol
Exact mass: 230.01915
CAS number: 4460-77-1
PubChem CID: 439236
Canonical SMILES: C(C1C(C(C(O1)OP(=O)(O)O)O)O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
InChIKey: YXJDFQJKERBOBM-TXICZTDVSA-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: -3.1 PubChem
Complexity: 238 PubChem
Stereocenters: 4 definedCIP: C3: R · C5: R · C11: R · C13: 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

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: 3.74 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: EvitaChem.

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]Human Metabolome Database (HMDB) · 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%.