(2R,3R)-1,4-dibromobutane-2,3-diol

C4H8Br2O2 — CID 27263

IUPAC(2R,3R)-1,4-dibromobutane-2,3-diol
SMILESO[C@@H](CBr)[C@@H](O)CBr
InChIInChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4-/m0/s1
InChIKeyXOWDQAHYPSENAC-IMJSIDKUSA-N
MW247.91 g/mol
LogP0.50
Rot. Bonds3

About (2R,3R)-1,4-dibromobutane-2,3-diol

(2R,3R)-1,4-dibromobutane-2,3-diol (PubChem CID 27263) has the molecular formula C4H8Br2O2 and a molecular weight of 247.91 g/mol. Its IUPAC name is (2R,3R)-1,4-dibromobutane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,4-dibromobutane-2,3-diol
PubChem CID27263
Molecular FormulaC4H8Br2O2
Molecular Weight247.91 g/mol
Exact Mass245.89
IUPAC Name(2R,3R)-1,4-dibromobutane-2,3-diol
SMILESO[C@@H](CBr)[C@@H](O)CBr
InChIInChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4-/m0/s1
InChIKeyXOWDQAHYPSENAC-IMJSIDKUSA-N
XLogP0.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.91
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-Bromo-1,2-propanediol
CID 20827
1,4-Dibromo-2-butanol
CID 29570
1,4-Dibromo-2,3-butanediol
CID 98512
2,3-Butanediol, 1,4-dibromo-, (R*,S*)-
CID 16042
(2R)-3-Bromo-1,2-propanediol
CID 2733893
3-Bromo-1,1,2,3,3-pentadeuteriopropane-1,2-diol
CID 71314275
(S)-3-Bromopropane-1,2-diol
CID 641216
4-Bromobutane-1,2-diol
CID 270812
5-Bromopentane-1,2-diol
CID 21305690
Bromo glycerol
CID 22418601
(2s,3s)-1,4-Dibromobutane-2,3-diol
CID 98502
(S)-1,4-Dibromobutan-2-ol
CID 641233

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-dibromobutane-2,3-diol?
The IUPAC name of (2R,3R)-1,4-dibromobutane-2,3-diol (CID 27263) is (2R,3R)-1,4-dibromobutane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,4-dibromobutane-2,3-diol?
The canonical SMILES for (2R,3R)-1,4-dibromobutane-2,3-diol is O[C@@H](CBr)[C@@H](O)CBr.
What is the InChIKey of (2R,3R)-1,4-dibromobutane-2,3-diol?
The InChIKey is XOWDQAHYPSENAC-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (2R,3R)-1,4-dibromobutane-2,3-diol?
(2R,3R)-1,4-dibromobutane-2,3-diol has a molecular weight of 247.91 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-dibromobutane-2,3-diol is sourced from PubChem (CID 27263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).