chempirical

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

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

Similar compounds

Trehalose99-20-788 % similar Glucosylglycerol22160-26-571 % similar Lactitol monohydrate81025-04-970 % similar Lactose, monohydrate10039-26-668 % similar α-Lactose monohydrate5989-81-168 % similar α-D-Glucose monohydrate14431-43-766 % similar α-D-Glucose monohydrate5996-10-166 % similar Methyl β-D-galactopyranoside1824-94-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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