| CAS Number | 1334178-00-5 |
| Catalog Number | AG00HSWS(AGN-PC-0WGE52) |
| Chemical Name | DNP-PEG12-acid |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C33H57N3O18/c37-33(38)3-5-43-7-9-45-11-13-47-15-17-49-19-21-51-23-25-53-27-28-54-26-24-52-22-20-50-18-16-48-14-12-46-10-8-44-6-4-34-31-2-1-30(35(39)40)29-32(31)36(41)42/h1-2,29,34H,3-28H2,(H,37,38) |
| InChI Key | NPMXZVXDKCQLJY-UHFFFAOYSA-N |
| MDL Number | MFCD13185012 |
| Molecular Formula | C33H57N3O18 |
| Molecular Weight | 783.8150 |
| SMILES | OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | Dnp-nh-peg(12)-cooh,
1334178-00-5,
alpha-(2,4-Dinitrophenyl)amino-omega-carboxy dodeca(ethylene glycol),
DNP-PEG12-acid,
MFCD13185012,
AKOS030213543,
ZINC169718789,
BP-22398,
|
| Complexity | 884 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 783.364g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 54 |
| Hydrogen Bond Acceptor Count | 19 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 783.822g/mol |
| Monoisotopic Mass | 783.364g/mol |
| Rotatable Bond Count | 40 |
| Topological Polar Surface Area | 252A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number