D-Galactal

C₆H₁₀O₄CAS 21193-75-9146.14 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether

Properties

Molecular formula: C₆H₁₀O₄
Molar mass: 146.14 g/mol
Exact mass: 146.0579 Da
Melting point: 99–100 °C
logP: -1.39Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1
Stereocentres: R, R, Rin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vapor14.3% of notifiers
H301 Toxic if swallowed14.3% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled14.3% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

21193-75-9

SMILES

OC[C@H]1OC=C[C@@H](O)[C@H]1O

InChIKey

YVECGMZCTULTIS-HSUXUTPPSA-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

3 names

D-Arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-
D-Lyxo-Hex-1-enopyranose, 1,2-dideoxy-
2,6-Anhydro-5-deoxy-D-arabino-hex-5-enitol

Work with D-Galactal

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

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.

Glucal13265-84-4Diastereomer

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. 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 Methyl 4-methoxyacetoacetate41051-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook