Threitol

C4H10O4CAS 2418-52-2122.12 g/mol

Open in Covalent MOL file
HOOHOHOH
Alcohol

Properties

Molecular formula
C4H10O4
Molar mass
122.12 g/mol
Exact mass
122.0579 Da
Melting point
89–91 °C
logP
-2.31Crippen estimate
Polar surface area
80.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
2418-52-2
SMILES
OC[C@@H](O)[C@H](O)CO
InChIKey
UNXHWFMMPAWVPI-QWWZWVQMSA-N
InChI
InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 1,2,3,4-Butanetetrol, (2R,3R)-
  • Threitol, D-
  • 1,2,3,4-Butanetetrol, [R-(R*,R*)]-
  • (2R,3R)-1,2,3,4-Butanetetrol
  • D-Threitol

Work with 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.

L-Threitol2319-57-5Enantiomer 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 Wikipedia