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L-Fucose

Athanor · official

C6H12O5 · 164.16 g/mol

IUPAC name: (3S,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol

Also called 6-deoxy-L-galactose, fucose, blood group sugar

Carbohydrates
Open in Athanor
The structure of L-Fucose
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(3S,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
Synonyms
6-deoxy-L-galactose, fucose, blood group sugar
+ 5 more

RefChem:971426, GlyTouCan:G30196FO, G30196FO, 6-Desoxygalactose; L-(-)-Fucose; L-Galactomethylose, SCHEMBL18788518

Molecular formula
C6H12O5
Empirical formula
C6H12O5
Molecular weight
164.16 g/mol
Exact mass
164.06847
CAS number
2438-80-4
PubChem CID
90471740
Canonical SMILES
CC1C(C(C(C(O1)O)O)O)O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@@H](C(O1)O)O)O)O
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6?/m0/s1
InChIKey
SHZGCJCMOBCMKK-ZZWDRFIYSA-N
Molfile

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

Calculated

Heavy atoms
11
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
-2.1 PubChem
Complexity
139 PubChem
Stereocenters
4 defined, 1 undefinedCIP: C2: S · C4: undefined · C6: S · C8: R · C10: 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

  • C43.90%
  • H7.37%
  • O48.73%

Isotope pattern

100%164.0696.8%165.0721.2%166.073

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
-2.19 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.52 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.72 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 164.16
  • log P ≤ 5 (Crippen): -2.19
  • 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

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: 001Chemical, Alfa Chemistry.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.