t-Boc-N-amido-PEG5-acid
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Basic information
- CAS
1347750-78-0- Standard SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCC(=O)O- InChIKey
RVYBVZICXVYKRD-UHFFFAOYSA-N- Molecular formula
- C18H35NO9
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- t-Boc-N-amido-PEG5-acid
- IUPAC
- 3-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
- English name
- t-Boc-N-amido-PEG5-acid
- Molecular formula
- C18H35NO9
- Molecular weight
- 409.47
Names & synonyms
t-Boc-N-amido-PEG5-acid1347750-78-0Boc-NH-PEG5-CH2CH2COOH2,2-Dimethyl-4-oxo-3,8,11,14,17,20-hexaoxa-5-azatricosan-23-oic acidMFCD24539478t-boc-N-amido-PEG5-propionic acidBocNH-PEG5-CH2CH2COOHC18H35NO95,8,11,14,17-Pentaoxa-2-azaeicosanedioic acid, 1-(1,1-dimethylethyl) ester3-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidBoc-N-amido-PEG5-acidBOC-PEG5-CH2CH2COOH
Show more names
BocNH-P5-COOHBocNH-PEG5-C2-COOHt-Boc-N-amido-PEG5-PA1-{[(tert-butoxy)carbonyl]amino}-3,6,9,12,15-pentaoxaoctadecan-18-oic acid
orb1909469SCHEMBL22939187T-BOC-NH-AMIDO-PEG5-COOHXDC75078ZB0983AKOS037652402HY-W022232BP-21637
Database identifiers
- CAS
1347750-78-0
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 536.9 · 536.9±50.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.28 · 4.28±0.10(Predicted)
- form
- Viscous Liquid
- color
- Colorless to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918999090 · 2918999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Descriptiont-Boc-N-amido-PEG5-acid is a PEG linker containing a terminal carboxylic acid and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. 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. The Boc group can be deprotected under mild acidic conditions to form the free amine.
UsesBoc-NH-PEG5-CH2CH2COOH is a PEG-based PROTAC linker can be used in the synthesis of PROTAC[1].
Related reactions
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Compound notes
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