| CAS Number | 2055042-61-8 |
| Catalog Number | AG019E7I |
| Chemical Name | 13-(2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)-4,7,10,16,19,22-hexaoxa-13-azapentacosanedioic acid |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C31H60N2O15/c1-31(2,3)48-30(38)32-6-12-41-18-24-47-27-21-44-15-9-33(7-13-42-19-25-45-22-16-39-10-4-28(34)35)8-14-43-20-26-46-23-17-40-11-5-29(36)37/h4-27H2,1-3H3,(H,32,38)(H,34,35)(H,36,37) |
| InChI Key | CNGLOOLAOPWBOS-UHFFFAOYSA-N |
| MDL Number | MFCD30182038 |
| Molecular Formula | C31H60N2O15 |
| Molecular Weight | 700.8125 |
| SMILES | CC(C)(OC(NCCOCCOCCOCCN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O)=O)C |
| Synonyms | N-(Boc-PEG3)-N-bis(PEG3-acid),
2055042-61-8,
BP-23265,
|
| Complexity | 735 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 700.399g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 700.82g/mol |
| Monoisotopic Mass | 700.399g/mol |
| Rotatable Bond Count | 38 |
| Topological Polar Surface Area | 199A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number