chempirical

Glucosylglycerol

C9H18O8CAS 22160-26-5254.24 g/mol

Open in Covalent MOL file
HOHOOOOHOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C9H18O8
Molar mass
254.24 g/mol
Exact mass
254.1002 Da
Melting point
121 °C
logP
-3.84Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
5
Stereocentres
S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
22160-26-5
SMILES
OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
AQTKXCPRNZDOJU-ZEBDFXRSSA-N
InChI
InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • α-D-Glucopyranoside, 2-hydroxy-1-(hydroxymethyl)ethyl
  • Glucopyranoside, 2-hydroxy-1-(hydroxymethyl)ethyl, α-D-
  • 2-Hydroxy-1-(hydroxymethyl)ethyl α-D-glucopyranoside
  • 2-O-α-D-Glucopyranosylglycerol
  • 2-O-α-D-Glucosylglycerol
  • Glycoin

Work with Glucosylglycerol

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

Trehalose99-20-780 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-471 % similar Methyl β-D-galactopyranoside1824-94-863 % similar Methyl-α-D-galactose3396-99-463 % similar Methyl α-D-mannopyranoside617-04-963 % similar Methyl β-D-glucopyranoside709-50-263 % similar Methyl α-D-glucopyranoside97-30-363 % similar Lactitol585-86-461 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook