| CAS Number | 581065-97-6 |
| Catalog Number | AG00IACB(AGN-PC-0SP1J0) |
| Chemical Name | 4,7,10,13-Tetraoxa-16-azanonadecanoic acid,17-oxo-19-(2-pyridinyldithio)- |
| IUPAC Name | 3-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C19H30N2O7S2/c22-17(5-16-29-30-18-3-1-2-6-21-18)20-7-9-26-11-13-28-15-14-27-12-10-25-8-4-19(23)24/h1-3,6H,4-5,7-16H2,(H,20,22)(H,23,24) |
| InChI Key | IJDPYTZOKIVWAN-UHFFFAOYSA-N |
| MDL Number | MFCD13185000 |
| Molecular Formula | C19H30N2O7S2 |
| Molecular Weight | 462.5807 |
| SMILES | O=C(CCSSC1=NC=CC=C1)NCCOCCOCCOCCOCCC(=O)O |
| Synonyms | Opss-peg(4)-cooh,
581065-97-6,
SPDP-PEG4-acid,
BIPG1771,
MFCD13185000,
ZINC96503444,
AKOS030213532,
BP-21939,
N-[3-(o-Pyridyldisulfido)propanoyl]-15-amino-4,7,10,13-tetraoxa-pentadecanoic acid,
|
| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 462.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 462.576g/mol |
| Monoisotopic Mass | 462.149g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number