methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate

C5H8Br2O3 — CID 14168305

IUPACmethyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate
SMILESCOC(=O)[C@H](Br)[C@H](O)CBr
InChIInChI=1S/C5H8Br2O3/c1-10-5(9)4(7)3(8)2-6/h3-4,8H,2H2,1H3/t3-,4-/m1/s1
InChIKeyORUPRZUZWITYDZ-QWWZWVQMSA-N
MW275.92 g/mol
LogP0.68
Rot. Bonds3

About methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate

methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate (PubChem CID 14168305) has the molecular formula C5H8Br2O3 and a molecular weight of 275.92 g/mol. Its IUPAC name is methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate
PubChem CID14168305
Molecular FormulaC5H8Br2O3
Molecular Weight275.92 g/mol
Exact Mass273.88
IUPAC Namemethyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate
SMILESCOC(=O)[C@H](Br)[C@H](O)CBr
InChIInChI=1S/C5H8Br2O3/c1-10-5(9)4(7)3(8)2-6/h3-4,8H,2H2,1H3/t3-,4-/m1/s1
InChIKeyORUPRZUZWITYDZ-QWWZWVQMSA-N
XLogP0.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.92
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R)-2,3,4-tribromobutanoate
CID 98084970
methyl (2R,3R)-2,3,4-tribromobutanoate
CID 98084971
dimethyl (2R,3R)-2-bromo-3-hydroxybutanedioate
CID 45116933
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
dimethyl 2,3-dibromobutanedioate;2,3,4-trihydroxybutanal
CID 174484722
methyl 3-bromo-2-methoxypropanoate
CID 13085535
zinc methyl (2R)-3-bromo-2-methylpropanoate
CID 175736425
methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
methyl 4-bromo-2-(bromomethyl)butanoate
CID 19010950
methyl (2R,3S)-2,3-dibromononanoate
CID 134966243
dimethyl (2S,5S,7S)-4-bromo-5-hydroxy-2,7-di(propan-2-yl)octanedioate
CID 59412362

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate?
The IUPAC name of methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate (CID 14168305) is methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate.
What is the SMILES notation for methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate?
The canonical SMILES for methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate is COC(=O)[C@H](Br)[C@H](O)CBr.
What is the InChIKey of methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate?
The InChIKey is ORUPRZUZWITYDZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8Br2O3/c1-10-5(9)4(7)3(8)2-6/h3-4,8H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate?
methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate has a molecular weight of 275.92 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2,4-dibromo-3-hydroxybutanoate is sourced from PubChem (CID 14168305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).