L-Threitol

C₄H₁₀O₄CAS 2319-57-5122.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₄
Molar mass: 122.12 g/mol
Exact mass: 122.0579 Da
logP: -2.31Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

2319-57-5

SMILES

C([C@@H]([C@H](CO)O)O)O

InChIKey

UNXHWFMMPAWVPI-IMJSIDKUSA-N

InChI

InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1

Weigh it out

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

Work with L-Threitol

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.

Threitol2418-52-2Enantiomer Erythritol149-32-6Diastereomer

Similar compounds

Ribitol488-81-367 % similar D-Arabitol488-82-467 % similar Sorbitol50-70-467 % similar Galactitol608-66-267 % similar Mannitol69-65-867 % similar Arabitol7643-75-667 % similar DL-Mannitol87-78-567 % similar Xylitol87-99-067 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook