1-(2-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 162339
• Molecular Formular: C14H16N2O6
• Molecular Mass: 308.28664
• Monoisotopic Mass: 308.10083624
• SMILES: C(COCCOCCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
• InChIKey: FERLGYOHRKHQJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(2-{2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy}ethyl)pyrrole-2,5-dione
• Synonyms: 1,1'-[Oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis-1H-pyrrole-2,5-dione; 1,11-Bis(maleimido)-3,6,9-trioxaundecane; N,N'-3,6,9-Trioxadecane-1,11-bismaleimide; 1,11-Bis(maleimido)tetraethyleneglycol

Database IDs

• CAS Number: 86099-06-1
• PubChem SID: 162256474
• PubChem CID: 3690297

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.0899297
• LogD (pH = 7.4): -1.0899297
• Log P: -1.0899297
• Molar Refractivity: 76.6142 cm^3
• Polarizability: 28.704622 Å^3
• Polar Surface Area: 93.22 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Colorless Oil

DETAILS

Toronto Research Chemicals - B477050

A sulfhydryl reactive homobifunctional reagent for polypeptide or small molecule conjugation.

REFERENCES

• Moller, J., et al.: J. Biol. Chem., 268, 18659 (1993)
• Farrens, D., et al.: Science, 274, 768 (1993)
• Musatov, A., et al.: Biochemistry, 39, 12996 (1993)
• Fotiadis, D., et al.: Nature, 421, 127 (1993)
• Vogel, R., et al.: J. Mol. Biol., 338, 597 (1993)