Basic information
- CAS
84057-88-5- Standard SMILES
CS(=O)(=O)CC[C@@H](C(=O)O)N1C(=O)C=CC1=O- InChIKey
YYNDITMIOYYROY-LURJTMIESA-N- Molecular formula
- C9H11NO6S
- Average molar mass
- 261.25 g/mol
- Monoisotopic mass
- 261.03070824
Overview
membrane-impermeant maleimide protein-labelling reagent; RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- N-Maleoylmethionine sulfone
- IUPAC
- (2S)-2-(2,5-dioxopyrrol-1-yl)-4-methylsulfonylbutanoic acid
- English name
- 1H-Pyrrole-1-acetic acid, 2,5-dihydro-alpha-(2-(methylsulfonyl)ethyl)- 2,5-dioxo-, (S)-
- Molecular formula
- C9H11NO6S
- Molecular weight
- 261.25
Names & synonyms
N-Maleoylmethionine sulfone84057-88-5N-MMS1H-Pyrrole-1-acetic acid, 2,5-dihydro-alpha-(2-(methylsulfonyl)ethyl)-2,5-dioxo-, (S)-RefChem:163643SCHEMBL29490168DTXSID801004346(S)-2-(2,5-Dioxo-2,5-dihydro-1-pyrrolyl)-4-(methylsulfonyl)butanoic AcidSY416938(2S)-2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methanesulfonyl)butanoic acid2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methanesulfonyl)butanoic acid1H-Pyrrole-1-acetic acid, 2,5-dihydro-alpha-(2-(methylsulfonyl)ethyl)- 2,5-dioxo-, (S)-
Show more names
1H-Pyrrole-1-acetic acid, 2,5-dihydro-α-[2-(methylsulfonyl)ethyl]-2,5-dioxo-, (S)- (9CI)
Database identifiers
- CAS
84057-88-5- PubChem CID
- 134686
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 585.4 · 585.4±45.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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