Maltose
Athanor · official
C12H22O11 · 342.3 g/mol
IUPAC name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Also called malt sugar, maltobiose, maltose
Names and identifiers
- IUPAC name
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- Synonyms
- malt sugar, maltobiose, maltose
+ 37 more
D-(+)-Maltose, Maltobiose, Cextromaltose, Advanctose 100, Malt sugar, Finetose, Maltodiose, Sunmalt, Finetose F, Sunmalt S, CHEBI:17306, 4-(alpha-D-Glucosido)-D-glucose, alpha-D-glucopyranosyl-(1->4)-D-glucopyranose, Maltose, pure, Maltose anhydrous, CHEBI:18147, 4-(alpha-D-Glucopyranosido)-alpha-glucopyranose, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, CHEBI:18167, NSC-760396, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol, Maltose, unspecified, RefChem:155481, GlyTouCan:G41366RG, XJ6S9RV06F, DTXCID101748070, G41366RG, 200-716-5, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol, 4-O-alpha-D-glucopyranosyl-D-glucose, 66Y63L379N, DTXSID1023233, Malzzucker, Maltotetraose Deuterated, 4-O-alpha-D-glucopyranosyl-D-glucopyranose, alpha-Malt sugar, alpha-D-Glcp-(1->4)-D-Glcp
- Molecular formula
- C12H22O11
- Empirical formula
- C12H22O11
- Molecular weight
- 342.3 g/mol
- Exact mass
- 342.11621
- CAS number
- 69-79-4
- PubChem CID
- 439186
- Canonical SMILES
- C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
- Isomeric SMILES
- C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O
- InChI
- InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1
- InChIKey
- GUBGYTABKSRVRQ-PICCSMPSSA-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
- -4.7 PubChem
- Complexity
- 382 PubChem
- Stereocenters
- 9 defined, 1 undefinedCIP: C3: R · C5: undefined · C7: R · C9: R · C11: S · C13: R · C15: R · C18: S · C20: S · C22: 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
- C42.11%
- H6.48%
- O51.41%
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
- -5.4 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 1.7 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.28 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
This chemical does not meet GHS hazard criteria for 99.5% (206 of 207) of all reports.[1]
Safety data sheets on the supplier’s page: BenchChem, eNovation Chemicals, Alfa Chemistry.
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 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)
- LC-MSMassBank of North America (MoNA) (Agilent qTOF 6545 · LC-ESI-QTOF · positive) · MassBank of North America (MoNA) (Agilent qTOF 6545 · LC-ESI-QTOF · positive) · MassBank of North America (MoNA) (Agilent qTOF 6545 · LC-ESI-QTOF · positive)
- Other MSMassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (qTof · positive) · MassBank of North America (MoNA) (qTof · negative)
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]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [2]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [3]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.