2-bromo-5-cystein-S-ylhydroquinone
Basic information
- CAS
126128-51-6- Standard SMILES
N[C@@H](CSc1cc(O)c(Br)cc1O)C(=O)O- InChIKey
LNMNYEGPADCPAZ-YFKPBYRVSA-N- Molecular formula
- C9H10BrNO4S
- Average molar mass
- 308.15 g/mol
- Monoisotopic mass
- 306.95139
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-bromo-5-cystein-S-ylhydroquinone
- IUPAC
- (2R)-2-amino-3-(4-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
- English name
- 2-bromo-5-cystein-S-ylhydroquinone
- Molecular formula
- C9H10BrNO4S
- Molecular weight
- 308.15
Names & synonyms
2-Bromo-5-cystein-S-ylhydroquinone126128-51-62-Bromo-5-(cystein-S-yl)hydroquinoneRefChem:85762S-(4-Bromo-2,5-dihydroxyphenyl)-L-cysteine(2R)-2-amino-3-(4-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acidDTXSID60925422S-(4-Bromo-2,5-dihydroxyphenyl)cysteineL-Cysteine, S-(4-bromo-2,5-dihydroxyphenyl)-
Database identifiers
- CAS
126128-51-6- PubChem CID
- 130856
- DTXSID
DTXSID60925422- Nikkaji
- J434.992J
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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