chempirical

Allyl α-D-glucopyranoside

C9H16O6CAS 7464-56-4220.22 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C9H16O6
Molar mass
220.22 g/mol
Exact mass
220.0947 Da
Melting point
100.5–101.5 °C
logP
-2.01Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7464-56-4
SMILES
C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
XJNKZTHFPGIJNS-ZEBDFXRSSA-N
InChI
InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/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-propen-1-yl
  • Glucopyranoside, allyl, α-D-
  • α-D-Glucopyranoside, 2-propenyl
  • 2-Propen-1-yl α-D-glucopyranoside
  • NSC 404076
  • α-D-Glucose monoallyl ether

Work with Allyl α-D-glucopyranoside

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

Trehalose99-20-759 % similar Rosin (chemical)85026-55-755 % similar Glucosylglycerol22160-26-554 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-454 % similar Isomaltitol534-73-654 % similar Isomalt64519-82-054 % similar Methyl beta-D-galactopyranoside1824-94-853 % similar Methyl alpha-D-galactopyranoside3396-99-453 % similar

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

Same formula

1,2-O-Isopropylidene-α-D-glucofuranose18549-40-1 Diethyl bis(hydroxymethyl)malonate20605-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook