L-Glucose (open chain)
Athanor · official
C6H12O6 · 180.16 g/mol
IUPAC name: (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
Also called L-glucose, unnatural enantiomer, non-metabolisable sugar
Names and identifiers
- IUPAC name
- (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
- Synonyms
- L-glucose, unnatural enantiomer, non-metabolisable sugar
+ 40 more
RefChem:671300, GlyTouCan:G06186NU, G06186NU, L-(-)-Glucose, (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal, Levoglucose [USAN], L-(-)-Glucose, anhydrous, MFCD00148913, UNII-02833ISA66, GTPL4719, L-(-)-Glucose, >=99%, 4-01-00-04327 (Beilstein Handbook Reference), AKOS024438167, HY-W010042, Q3266724, Glucose, (L)-Isomer, EINECS 213-068-3, Levoglucose [USAN:INN], BRN 1724626, L-Glucose; FM 602; L(-)-Glucose; Levoglucose; l-Glucose, L-aGlucose, s3131, (1) glucose, LEVOGLUCOS, L-(?)-Glucose, LEVOGLUCOSE [INN], LEVOGLUCOSE [WHO-DD], orb1302079, SCHEMBL5506224, GEO-04663, MSK012403, CS-W010758, DB12970, FS-5674, MG05247, DA-64949, SY057403, NS00079611, T5113, F094700
- Molecular formula
- C6H12O6
- Empirical formula
- CH2O
- Molecular weight
- 180.16 g/mol
- Exact mass
- 180.06339
- CAS number
- 921-60-8
- PubChem CID
- 10954115
- Canonical SMILES
- C(C(C(C(C(C=O)O)O)O)O)O
- Isomeric SMILES
- C([C@@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O)O
- InChI
- InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1
- InChIKey
- GZCGUPFRVQAUEE-VANKVMQKSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 12
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.83
- H-bond donors
- 5
- H-bond acceptors
- 6
- Rotatable bonds
- 5
- TPSA (Ų)
- 118.2 computed here · PubChem 118
- Formal charge
- 0
- XLogP3
- -2.9 PubChem
- Complexity
- 138 PubChem
- Stereocenters
- 4 definedCIP: C3: S · C5: S · C7: R · C9: 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
- C40.00%
- H6.71%
- O53.28%
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
- -3.38 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 1.5 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.91 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 180.16
- log P ≤ 5 (Crippen): -3.38
- 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: Chem-Space.com Database, ChemoSapiens, 10X CHEM.
Always read the supplier’s safety data sheet before working with it.
Spectra
- GC-MSMassBank Europe (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies · GC-EI-TOF · POSITIVE) · MassBank Europe (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies · GC-EI-TOF · POSITIVE) · MassBank of North America (MoNA) (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies · GC-EI-TOF · positive) · MassBank of North America (MoNA) (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies · GC-EI-TOF · positive)
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]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [2]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.