| CAS Number | 1814901-04-6 |
| Catalog Number | AG019E6W |
| Chemical Name | 4,7,10,16,19,22-Hexaoxa-13-azapentacosanedioic acid |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C18H35NO10/c20-17(21)1-5-24-9-13-28-15-11-26-7-3-19-4-8-27-12-16-29-14-10-25-6-2-18(22)23/h19H,1-16H2,(H,20,21)(H,22,23) |
| InChI Key | SOBFCIHPQNRZEE-UHFFFAOYSA-N |
| MDL Number | MFCD29912752 |
| Molecular Formula | C18H35NO10 |
| Molecular Weight | 425.4712 |
| SMILES | C(COCCOCCOCCNCCOCCOCCOCCC(=O)O)C(=O)O |
| Synonyms | Acid-apeg6-acid,
1814901-04-6,
NH-bis(PEG3-acid) HCl salt,
SCHEMBL18882749,
BP-23235,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.475g/mol |
| Monoisotopic Mass | 425.226g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 142A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number