Rel-(2R,3R)-2,3-dibromo-1,4-butanediol

C₄H₈Br₂O₂CAS 1947-58-6247.91 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₈Br₂O₂
Molar mass: 247.91 g/mol
Exact mass: 245.8891 Da
Boiling point: 33.5–34 °C (at 0.8 Torr)
logP: 0.50Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

1947-58-6

SMILES

OC[C@H](Br)[C@@H](Br)CO

InChIKey

OXYNQEOLHRWEPE-SEFKMRKONA-N

InChI

InChI=1/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2/t3-,4-/s2

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

Names and synonyms

5 names

1,4-Butanediol, 2,3-dibromo-, (2R,3R)-rel-
1,4-Butanediol, 2,3-dibromo-, (R*,R*)-(±)-
1,4-Butanediol, 2,3-dibromo-, (R*,R*)-
rac-2,3-Dibromobutane-1,4-diol
2,3-Dibromo-2,3-dideoxy-dl-threitol

Work with Rel-(2R,3R)-2,3-dibromo-1,4-butanediol

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

Hexabromocyclododecane3194-55-640 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-340 % similar 2,3-Dibromo-1-propanol96-13-940 % similar Cyclohexanedimethanol105-08-835 % similar Erythritol149-32-635 % similar 1,2,3,4-Tetrabromobutane1529-68-635 % similar Threitol2418-52-235 % similar Cyclopropanemethanol2516-33-835 % similar

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

Elsewhere

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