| CAS Number | 1334177-96-6 |
| Catalog Number | AG00HSWQ(AGN-PC-0WQXET) |
| Chemical Name | OPss-peg(8)-cooh |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C27H46N2O11S2/c30-25(5-24-41-42-26-3-1-2-6-29-26)28-7-9-34-11-13-36-15-17-38-19-21-40-23-22-39-20-18-37-16-14-35-12-10-33-8-4-27(31)32/h1-3,6H,4-5,7-24H2,(H,28,30)(H,31,32) |
| InChI Key | DKWMKNTUPXBDLZ-UHFFFAOYSA-N |
| MDL Number | MFCD13185002 |
| Molecular Formula | C27H46N2O11S2 |
| Molecular Weight | 638.7909 |
| SMILES | c1ccnc(c1)SSCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| Synonyms | Opss-peg(8)-cooh,
1334177-96-6,
SPDP-PEG8-acid,
MFCD13185002,
AKOS030213534,
ZINC104530365,
BP-21940,
alpha-[3-(o-Pyridyldisulfido)propanoylamido]-omega-carboxy octa(ethylene glycol),
|
| Complexity | 627 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 638.254g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 638.788g/mol |
| Monoisotopic Mass | 638.254g/mol |
| Rotatable Bond Count | 32 |
| Topological Polar Surface Area | 204A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number