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Starch repeating unit

Athanor · official

C12H22O11 · 342.3 g/mol

IUPAC name: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol

Also called starch, amylose, amylopectin, glycogen, maltose unit, alpha-1,4-glucan

Carbohydrates
Open in Athanor
The structure of Starch repeating unit
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
Synonyms
starch, amylose, amylopectin
+ 14 more

glycogen, maltose unit, alpha-1,4-glucan, CHEBI:147494, alpha-D-Glcp-(1->3)-beta-D-Galp, RefChem:936284, GlyTouCan:G13861RG, G13861RG, Glc(a1-3)b-Gal, SCHEMBL30565915, 3-O-alpha-D-glucopyranosyl-beta-D-galactopyranose, alpha-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranose, WURCS=2.0/2,2,1/[a2112h-1b_1-5][a2122h-1a_1-5]/1-2/a3-b1, (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol

Molecular formula
C12H22O11
Empirical formula
C12H22O11
Molecular weight
342.3 g/mol
Exact mass
342.11621
CAS number
9005-25-8
PubChem CID
91850171
Canonical SMILES
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
Isomeric SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10+,11-,12-/m1/s1
InChIKey
QIGJYVCQYDKYDW-JPYOEHHXSA-N
Molfile

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

Calculated

Heavy atoms
23
Rings
2
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
4
TPSA (Ų)
189.5 computed here · PubChem 190
Formal charge
0
XLogP3
-4.2 PubChem
Complexity
382 PubChem
Stereocenters
10 definedCIP: C3: R · C5: R · C7: S · C8: R · C10: R · C13: R · C16: S · C18: R · C20: S · C22: 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

  • C42.11%
  • H6.48%
  • O51.41%

Isotope pattern

100%342.11614%343.1203.1%344.121345.124

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
-5.4 Crippen (Wildman and Crippen 1999)
log S (water solubility)
1.7 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.29 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 342.3
  • log P ≤ 5 (Crippen): -5.4
  • H-bond donors ≤ 5: 8
  • H-bond acceptors ≤ 10: 11

Breaks 2 of the 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.

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.