Glucal
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13265-84-4SMILES
OC[C@H]1OC=C[C@@H](O)[C@@H]1OInChIKey
YVECGMZCTULTIS-PBXRRBTRSA-NInChI
InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1Weigh 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
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.
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
Beta-D-glucose9001-37-036 % similar
β-Galactosidase9031-11-236 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.