α-D-Glucopyranosyl α-D-glucopyranoside dihydrate

C12H26O13CAS 6138-23-4378.33 g/mol

Open in Covalent MOL file
H2OH2OOHOOOOHOHOHHOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C12H26O13
Molar mass
378.33 g/mol
Exact mass
378.1373 Da
Boiling point
115.3 °C
logP
-7.05Crippen estimate
Polar surface area
252.5 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 122 ECHA notifiers. Aggregated from 122 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
6138-23-4
SMILES
O.O.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
DPVHGFAJLZWDOC-PVXXTIHASA-N
InChI
InChI=1S/C12H22O11.2H2O/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;2*1H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1

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Names and synonyms

6 names
  • Trehalose, dihydrate
  • α-D-Glucopyranoside, α-D-glucopyranosyl, hydrate (1:2)
  • α-D-Glucopyranoside, α-D-glucopyranosyl, dihydrate
  • α,α-Trehalose dihydrate
  • D-(+)-Trehalose dihydrate
  • D-Trehalose dihydrate

Work with α-D-Glucopyranosyl α-D-glucopyranoside dihydrate

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Trehalose99-20-7Anhydrous

Similar compounds

Methyl alpha-D-galactopyranoside monohydrate34004-14-373 % similar Glucosylglycerol22160-26-571 % similar Lactitol monohydrate81025-04-970 % similar Beta-cyclodextrin hydrate68168-23-069 % similar Lactose, monohydrate10039-26-668 % similar Alpha-Lactose monohydrate5989-81-168 % similar α-D-Glucose monohydrate14431-43-766 % similar α-D-Glucose monohydrate5996-10-166 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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