| CAS Number | 1895916-27-4 |
| Catalog Number | AG00I2SC(AGN-PC-0WR1V3) |
| Chemical Name | 1-(2,5-Dioxo-1-pyrrolidinyl) 4,7,10,13,16,19,22,25,28-nonaoxahentriacontanedioate |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C26H45NO15/c28-23-1-2-24(29)27(23)42-26(32)4-6-34-8-10-36-12-14-38-16-18-40-20-22-41-21-19-39-17-15-37-13-11-35-9-7-33-5-3-25(30)31/h1-22H2,(H,30,31) |
| InChI Key | BJOKQEMLFQBOQZ-UHFFFAOYSA-N |
| MDL Number | MFCD28064339 |
| Molecular Formula | C26H45NO15 |
| Molecular Weight | 611.6332 |
| SMILES | O(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)N1C(=O)CCC1=O |
| Synonyms | Acid-PEG9-NHS ester,
1895916-27-4,
Acid-dPEG(R)9-NHS ester,
SCHEMBL19544549,
MFCD28064339,
ZINC214943903,
BP-22221,
|
| Complexity | 708 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 611.279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 611.638g/mol |
| Monoisotopic Mass | 611.279g/mol |
| Rotatable Bond Count | 32 |
| Topological Polar Surface Area | 184A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number