| CAS Number | 1818294-32-4 |
| Catalog Number | AG00I0BU(AGN-PC-0WR1MT) |
| Chemical Name | 2,5-Dioxo-1-pyrrolidinyl 3-[[19-oxo-21-(2-pyridinyldithio)-3,6,9,12,15-pentaoxa-18-azaheneicos-1-yl]oxy]propanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C27H41N3O11S2/c31-23(7-22-42-43-24-3-1-2-8-29-24)28-9-11-36-13-15-38-17-19-40-21-20-39-18-16-37-14-12-35-10-6-27(34)41-30-25(32)4-5-26(30)33/h1-3,8H,4-7,9-22H2,(H,28,31) |
| InChI Key | KOEOEXUDNQGULJ-UHFFFAOYSA-N |
| MDL Number | MFCD24539467 |
| Molecular Formula | C27H41N3O11S2 |
| Molecular Weight | 647.7579 |
| SMILES | O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC2=NC=CC=C2 |
| Synonyms | SPDP-PEG6-NHS ester,
1818294-32-4,
ZINC97950150,
BP-21673,
|
| Complexity | 781 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 647.218g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 647.755g/mol |
| Monoisotopic Mass | 647.218g/mol |
| Rotatable Bond Count | 28 |
| Topological Polar Surface Area | 212A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number