Ribulose 5-phosphate
Athanor · official
C5H11O8P · 230.11 g/mol
IUPAC name: [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate
Also called Ru5P, ribulose-5-phosphate, pentose phosphate pathway
Names and identifiers
- IUPAC name
- [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate
- Synonyms
- Ru5P, ribulose-5-phosphate, pentose phosphate pathway
+ 35 more
D-Ribulose 5-phosphate, 5-O-phosphono-D-ribulose, THU37VTP7Y, [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate, CHEBI:17363, DTXSID001336250, ((2R,3R)-2,3,5-Trihydroxy-4-oxopentyl) dihydrogen phosphate, RefChem:585033, GlyTouCan:G61674AO, DTXCID601766407, G61674AO, (((2R,3R)-2,3,5-trihydroxy-4-oxopentyl)oxy)phosphonic acid, D-ribulose-5-phosphate, D-Erythro-pentulose, 5-phosphate, D-erythro-2-pentulose, 5-(dihydrogen phosphate), ribulose-5P, ribulose-5-P, D-ribulose-5-P, D-Erythro-pentulose, 5-(dihydrogen phosphate), erythro-2-Pentulose, 5-(dihydrogen phosphate), D-erythro-pent-2-ulose 5-(dihydrogen phosphate), (2R,3R)-2,3,5-Trihydroxy-4-oxopentyl dihydrogen phosphate, rel-(2R,3R)-2,3,5-Trihydroxy-4-oxopentyl dihydrogen phosphate, 5RP, D-ribulose-5-phosphoric acid, Ribulose phosphate, MFCD34550345, UNII-THU37VTP7Y, SCHEMBL49528, Erythro-Pentulose 5-phosphate, orb3238039, DTXSID301336247, MR45852, MSK179126-100W, MR184492
- Molecular formula
- C5H11O8P
- Empirical formula
- C5H11O8P
- Molecular weight
- 230.11 g/mol
- Exact mass
- 230.01915
- CAS number
- 4151-19-3
- PubChem CID
- 439184
- Canonical SMILES
- C(C(C(C(=O)CO)O)O)OP(=O)(O)O
- Isomeric SMILES
- C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
- InChI
- InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
- InChIKey
- FNZLKVNUWIIPSJ-UHNVWZDZSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 14
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.8
- H-bond donors
- 5
- H-bond acceptors
- 6 computed here · PubChem 8
- Rotatable bonds
- 6
- TPSA (Ų)
- 144.5 computed here · PubChem 145
- Formal charge
- 0
- XLogP3
- -3.7 PubChem
- Complexity
- 234 PubChem
- Stereocenters
- 2 definedCIP: C5: R · C7: 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
- -2.62 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.78 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): -2.62
- 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: CATO Research Chemicals Inc., Accela ChemBio Inc., eNovation Chemicals.
Always read the supplier’s safety data sheet before working with it.
Spectra
- GC-MSHuman Metabolome Database (HMDB) (GC-MS) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive)
- MS-MSHuman Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive)
- LC-MSMassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · NEGATIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · NEGATIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · NEGATIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · NEGATIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · NEGATIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · 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]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.