chempirical

Rel-(2R,3S)-2,3-dibromobutanedioic acid

C4H4Br2O4CAS 608-36-6275.88 g/mol

Open in Covalent MOL file
OHOBrBrOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H4Br2O4
Molar mass
275.88 g/mol
Exact mass
273.8476 Da
Melting point
268 °C (decomposes)
logP
0.68Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
608-36-6
SMILES
O=C(O)[C@@H](Br)[C@@H](Br)C(=O)O
InChIKey
FJWGRXKOBIVTFA-XIXRPRMCNA-N
InChI
InChI=1/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2+

Weigh it out

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

Names and synonyms

6 names
  • Butanedioic acid, 2,3-dibromo-, (2R,3S)-rel-
  • Succinic acid, 2,3-dibromo-, meso-
  • Butanedioic acid, 2,3-dibromo-, (R*,S*)-
  • meso-Dibromosuccinic acid
  • meso-2,3-Dibromosuccinic acid
  • NSC 100886

Work with Rel-(2R,3S)-2,3-dibromobutanedioic acid

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

(2S)-2-Bromo-3-methylbutanoic acid26782-75-267 % similar 2,3-Dibromobutanoic acid600-30-664 % similar (R)-(+)-2-Bromopropionic acid10009-70-850 % similar 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-450 % similar (2S)-2-Bromopropanoic acid32644-15-850 % similar Bromochloroacetic acid5589-96-850 % similar 2-Bromopropionic acid598-72-150 % similar 2,3-Dibromo-3-phenylpropanoic acid6286-30-250 % similar

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

Same formula

2,3-Dibromosuccinic acid526-78-3

Elsewhere

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