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Ribitol

Athanor · official

C5H12O5 · 152.15 g/mol

IUPAC name: (2R,4S)-pentane-1,2,3,4,5-pentol

Also called adonitol, sugar alcohol

Carbohydrates
Open in Athanor
The structure of Ribitol
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(2R,4S)-pentane-1,2,3,4,5-pentol
Synonyms
adonitol, sugar alcohol, (2S,4R)-pentane-1,2,3,4,5-pentol
+ 35 more

RefChem:934805, GlyTouCan:G06874YZ, G06874YZ, xylitol, Xylite, D-Xylitol, Adonit, Adonite, Eutrit, Klinit, Xyliton, Xylite (sugar), Kannit, D-ribitol, Newtol, Xylit, 1,2,3,4,5-pentanepentol, Kylit, meso-ribitol, Fluorette, Xylisorb, xylo-Pentitol, (2R,3s,4S)-pentane-1,2,3,4,5-pentol, Xylitab 300, (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol, (2R,3S,4S)-Pentane-1,2,3,4,5-pentaol, meso-xylitol, meso-Pentitol, L-ribitol, (2R,3r,4S)-pentane-1,2,3,4,5-pentol, 353ZQ9TVDA, MFCD00064291, Xylitol, d-, Xylitol cm 90, Xylitol (Standard)

Molecular formula
C5H12O5
Empirical formula
C5H12O5
Molecular weight
152.15 g/mol
Exact mass
152.06847
CAS number
488-81-3
PubChem CID
6912
Canonical SMILES
C(C(C(C(CO)O)O)O)O
Isomeric SMILES
C([C@H](C([C@H](CO)O)O)O)O
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
InChIKey
HEBKCHPVOIAQTA-NGQZWQHPSA-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)
1
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
4
TPSA (Ų)
101.2 computed here · PubChem 101
Formal charge
0
XLogP3
-2.5 PubChem
Complexity
76 PubChem
Stereocenters
3 definedCIP: C3: S · C5: s · 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

  • C39.47%
  • H7.95%
  • O52.58%

Isotope pattern

100%152.0695.7%153.0721.2%154.073

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
-2.95 Crippen (Wildman and Crippen 1999)
log S (water solubility)
1.34 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.42 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 152.15
  • log P ≤ 5 (Crippen): -2.95
  • H-bond donors ≤ 5: 5
  • H-bond acceptors ≤ 10: 5

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: MuseChem, AbaChemScene, Alfa Chemistry.

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]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.