| CAS Number | 2055198-05-3 |
| Catalog Number | AG019E8A |
| Chemical Name | Sulfo DBCO-PEG4-amine |
| IUPAC Name | 3-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-1-oxopropane-2-sulfonic acid |
| InChI | InChI=1S/C32H42N4O10S/c33-13-16-44-18-20-46-22-21-45-19-17-43-15-12-30(37)35-23-29(47(40,41)42)32(39)34-14-11-31(38)36-24-27-7-2-1-5-25(27)9-10-26-6-3-4-8-28(26)36/h1-8,29H,11-24,33H2,(H,34,39)(H,35,37)(H,40,41,42) |
| InChI Key | STVKRTXHJIWDHK-UHFFFAOYSA-N |
| MDL Number | MFCD29912667 |
| Molecular Formula | C32H42N4O10S |
| Molecular Weight | 674.7617 |
| SMILES | O=C(CCOCCOCCOCCOCCN)NCC(S(O)(=O)=O)C(NCCC(N1CC2=C(C=CC=C2)C#CC2=C1C=CC=C2)=O)=O |
| Synonyms | Sulfo DBCO-PEG4-Amine,
BP-23310,
2055198-05-3,
|
| Complexity | 1150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 674.262165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 674.8g/mol |
| Monoisotopic Mass | 674.262165g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 204Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number