chempirical

Glucal

C6H10O4CAS 13265-84-4146.14 g/mol

Open in Covalent MOL file
HOOOHHO
AlcoholAlkeneEther

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Melting point
58 °C
logP
-1.39Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
13265-84-4
SMILES
OC[C@H]1OC=C[C@@H](O)[C@@H]1O
InChIKey
YVECGMZCTULTIS-PBXRRBTRSA-N
InChI
InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • D-Arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-
  • D-Arabino-Hex-1-enopyranose, 1,2-dideoxy-
  • 1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol
  • D-Glucal
  • D-(+)-Glucal

Work with Glucal

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

Aucubin479-98-140 % similar D-Galactopyranose10257-28-036 % similar β-D-Glucose492-61-536 % similar α-D-Glucose492-62-636 % similar Xylobiose6860-47-536 % similar β-D-Allopyranose7283-09-236 % similar Trehalose99-20-736 % similar 1,5-Anhydroglucitol154-58-535 % similar

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

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Glycol diacetate111-55-7 Adipic acid124-04-9 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9 Methyl 4-methoxyacetoacetate41051-15-4

Elsewhere

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