chempirical

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

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

Similar compounds

α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-488 % similar Glucosylglycerol22160-26-580 % similar Methyl β-D-galactopyranoside1824-94-870 % similar Methyl-α-D-galactose3396-99-470 % similar Methyl α-D-mannopyranoside617-04-970 % similar Methyl β-D-glucopyranoside709-50-270 % 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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