Trehalose

C12H22O11CAS 99-20-7342.30 g/mol

Open in Covalent MOL file
OHOOOOHOHOHHOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C12H22O11
Molar mass
342.30 g/mol
Exact mass
342.1162 Da
Density
1.53 g/mL
Melting point
203 °C
logP
-5.40Crippen estimate
Polar surface area
189.5 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
4
Stereocentres
R, R, R, R, S, S, R, R, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 430 ECHA notifiers. Aggregated from 430 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
99-20-7
SMILES
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
HDTRYLNUVZCQOY-LIZSDCNHSA-N
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

20 names · show all
  • α-D-Glucopyranoside, α-D-glucopyranosyl
  • α-D-Glucopyranosyl α-D-glucopyranoside
  • Ergot sugar
  • Mycose
  • Natural trehalose
  • α,α-Trehalose
  • α-D-Trehalose
  • D-(+)-Trehalose
  • α-Trehalose
  • D-Trehalose
  • α,α′-D-Trehalose
  • Trehaose
  • Treha
  • NSC 2093
  • O-D-Glucopyranosyl-(1→1)-D-glucopyranoside
  • Trehalose P
  • Thealoz
  • Cabaletta
  • Trehalose 100PH
  • Tremalose

Work with Trehalose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-4Hydrate

Similar compounds

Glucosylglycerol22160-26-580 % similar Methyl beta-D-galactopyranoside1824-94-870 % similar Methyl alpha-D-galactopyranoside3396-99-470 % similar Methyl alpha-D-mannopyranoside617-04-970 % similar Methyl β-D-glucopyranoside709-50-270 % similar Methyl D-galactopyranoside93302-26-270 % similar Methyl α-D-glucopyranoside97-30-370 % similar Lactitol585-86-467 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isomaltulose13718-94-0 α-D-Lactose14641-93-1 Lactulose4618-18-2 Isomaltose499-40-1 Cellobiose528-50-7 Turanose547-25-1 Gentiobiose554-91-6 Sucrose57-50-1

Elsewhere

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