3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)propanoic acid
Basic information
- CAS
760952-64-5- Standard SMILES
O=C(O)CCOCCN1C(=O)C=CC1=O- InChIKey
YTZFUAXOTCJZHP-UHFFFAOYSA-N- Molecular formula
- C9H11NO5
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.06372245
Names & identifiers
- Preferred name
- 3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)propanoic acid
- IUPAC
- 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoic acid
- English name
- Mal-PEG1-acid
- Molecular formula
- C9H11NO5
- Molecular weight
- 213.19
Names & synonyms
760952-64-53-[2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethoxy]propanoic acid3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)propanoic acidRefChem:490321983-387-7Mal-PEG1-acidMal-PEG1-acid isMal-PEG1-CH2CH2COOHMFCD244974433-[2-(2,5-DIOXOPYRROL-1-YL)ETHOXY]PROPANOIC ACIDPropanoic acid, 3-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]-3-[2-(2,5-Dioxo-2,5-dihydro-1-pyrrolyl)ethoxy]propanoic Acid
Show more names
MAL-PEG1-PAMal-PEG1-CH2CH2COOH/Propanoic acid, 3-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]-
SCHEMBL58287986-maleinimido-4-oxacaproic acidYTZFUAXOTCJZHP-UHFFFAOYSA-NKFB95264AKOS040742073BP-21859SY269077WS-03064
Database identifiers
- CAS
760952-64-5- PubChem CID
- 21881065
- EC Number
- 983-387-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 419.4 · 419.4±30.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, protect from light
- pka
- 4.27 · 4.27±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C9H11NO5/c11-7-1-2-8(12)10(7)4-6-15-5-3-9(13)14/h1-2H,3-6H2,(H,13,14)
- InChIKey
- YTZFUAXOTCJZHP-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCOCCN1C(=O)C=CC1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionMal-PEG1-acid is a PEG linker containing a maleimide group with a terminal carboxylic acid. The hydrophilic PEG spacer increases solubility in aqueous media. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.
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Related reactions
1 records
Compound notes
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