2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaoxaheptaoctacontan-87-oate

• ChemBase ID: 141768
• Molecular Formular: C70H127N3O35
• Molecular Mass: 1570.75648
• Monoisotopic Mass: 1569.82501278
• SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• Canonical SMILES: O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C70H127N3O35/c74-65(5-8-72-66(75)1-2-67(72)76)71-7-10-81-12-14-83-16-18-85-20-22-87-24-26-89-28-30-91-32-34-93-36-38-95-40-42-97-44-46-99-48-50-101-52-54-103-56-58-105-60-62-107-64-63-106-61-59-104-57-55-102-53-51-100-49-47-98-45-43-96-41-39-94-37-35-92-33-31-90-29-27-88-25-23-86-21-19-84-17-15-82-13-11-80-9-6-70(79)108-73-68(77)3-4-69(73)78/h1-2H,3-64H2,(H,71,74)
• InChIKey: QTIQGDBALCIANR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaoxaheptaoctacontan-87-oate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxopyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaoxaheptaoctacontan-87-oate
• Synonyms: MAL-PEG NHS; Maleimidopropionyl-PEG NHS ester (n=27); O-[N-(3-Maleimidopropionyl)aminoethyl]-O′-[3-(N-succinimidyloxy)-3-oxopropyl]heptacosaethylene glycol; 马来酰亚胺丙酰-PEG NHS 酯（聚合度为 27）; O-[N-(3-马来酰亚胺丙酰基)氨基乙基]-O′-[3-(N-琥珀酰亚氨氧基)-3-氧代丙基]二十七乙二醇

Database IDs

• MDL Number: MFCD12545997
• PubChem SID: 162236002
• PubChem CID: 51340913

CALCULATED PROPERTIES

• Acid pKa: 15.249726
• H Acceptors: 34
• H Donor: 1
• LogD (pH = 5.5): -3.5112302
• LogD (pH = 7.4): -3.5112302
• Log P: -3.5112302
• Molar Refractivity: 386.3068 cm^3
• Polarizability: 152.65364 Å^3
• Polar Surface Area: 388.6 Å^2
• Rotatable Bonds: 92
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥90% (oligomer purity)
• Impurities: ≤2% hydrolyzed product
• Empirical Formula (Hill Notation): C70H127N3O35

DETAILS

Sigma Aldrich - 689777

Packaging
100 mg in glass bottle