| CAS Number | 1818294-42-6 |
| Catalog Number | AG00234M(AGN-PC-0WQUDT) |
| Chemical Name | 4,7,10,13,16,19,22,25,28,31-Decaoxatritriacontanoic acid, 33-amino-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C27H55NO12/c1-27(2,3)40-26(29)4-6-30-8-10-32-12-14-34-16-18-36-20-22-38-24-25-39-23-21-37-19-17-35-15-13-33-11-9-31-7-5-28/h4-25,28H2,1-3H3 |
| InChI Key | CXGGTGCHTQMBOC-UHFFFAOYSA-N |
| MDL Number | MFCD26127812 |
| Molecular Formula | C27H55NO12 |
| Molecular Weight | 585.7251 |
| SMILES | O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN |
| Synonyms | Amino-PEG10-t-butyl ester,
1818294-42-6,
H2N-PEG10-CH2CH2COOtBu,
BIPG1078,
ZINC110715863,
BP-21819,
4,7,10,13,16,19,22,25,28,31-Decaoxatritriacontanoic acid, 33-amino-, 1,1-dimethylethyl ester,
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| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 585.372g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 585.732g/mol |
| Monoisotopic Mass | 585.372g/mol |
| Rotatable Bond Count | 34 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number