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D-Xylopyranose

Athanor · official

C5H10O5 · 150.13 g/mol

IUPAC name: (3R,4S,5R)-oxane-2,3,4,5-tetrol

Also called xylose, wood sugar, D-xylose

Carbohydrates
Open in Athanor
The structure of D-Xylopyranose
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
(3R,4S,5R)-oxane-2,3,4,5-tetrol
Synonyms
xylose, wood sugar, D-xylose
+ 38 more

XYLOPYRANOSE, (3R,4S,5R)-oxane-2,3,4,5-tetrol, (3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol, xylopyranoside, Xylomed, d-xylopyranoside, D Xylose, DTXSID0023745, Xylo-Pfan, CHEBI:53455, Xylose, pure, SNFG:Xyl, Xyl (SNFG), RefChem:53270, GlyTouCan:G53308XG, CHEBI:65327, G53308XG, 200-400-7, 958-170-5, (2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal, (3R,4R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2,3,4-TRIOL, (D)-Xylose, A1TA934AKO, CHEMBL1236821, D-(+)-Xylose, D-Xyl, D-Xylo-pentose, D-Xylose, FEMA No. 3606, NSC-122762, NSC-760130, Wood sugar, Xyl, XYLOPYRANOSE, D-, Xylose, XYLOSE (EP MONOGRAPH), XYLOSE (USP MONOGRAPH), XYLOSE (USP-RS)

Molecular formula
C5H10O5
Empirical formula
CH2O
Molecular weight
150.13 g/mol
Exact mass
150.05282
CAS number
58-86-6
PubChem CID
135191
Canonical SMILES
C1C(C(C(C(O1)O)O)O)O
Isomeric SMILES
C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
InChIKey
SRBFZHDQGSBBOR-IOVATXLUSA-N
Molfile

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

Physical properties

Appearance
White crystalline powder[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
10
Rings
1
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
0
TPSA (Ų)
90.2
Formal charge
0
XLogP3
-2.5 PubChem
Complexity
117 PubChem
Stereocenters
3 defined, 1 undefinedCIP: C2: undefined · C5: R · C7: S · C9: 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

  • C40.00%
  • H6.71%
  • O53.28%

Isotope pattern

100%150.0535.7%151.0561.2%152.057

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
-2.58 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.86 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.8 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 150.13
  • log P ≤ 5 (Crippen): -2.58
  • H-bond donors ≤ 5: 4
  • 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

Warning

From European Chemicals Agency (ECHA). Source [2].

  • Harmful or irritant
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [2] European Chemicals Agency (ECHA) · 313 reportsThis chemical does not meet GHS hazard criteria for 100% (313 of 313) of all reports.
  • [2] European Chemicals Agency (ECHA) · WarningH315, H319, H335

Safety data sheets on the supplier’s page: Fluorochem, Smolecule, J&H Chemical Co.,ltd.

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]SpectraBase · 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. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  7. ·Literature on PubChem

Data last updated 2026-10-14.