| CAS Number | 2055042-71-0 |
| Catalog Number | AG019E7W |
| Chemical Name | N-(Propargyl-PEG4)-Biocytin |
| IUPAC Name | (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]hexanoic acid |
| InChI | InChI=1S/C28H46N4O9S/c1-2-12-38-14-16-40-18-19-41-17-15-39-13-10-25(34)30-21(27(35)36)7-5-6-11-29-24(33)9-4-3-8-23-26-22(20-42-23)31-28(37)32-26/h1,21-23,26H,3-20H2,(H,29,33)(H,30,34)(H,35,36)(H2,31,32,37)/t21-,22-,23-,26-/m0/s1 |
| InChI Key | IPPRUAQKQUEPCX-HZLPDVBGSA-N |
| MDL Number | MFCD30182023 |
| Molecular Formula | C28H46N4O9S |
| Molecular Weight | 614.7512 |
| SMILES | C(O)(=O)[C@H](CCCCNC(=O)CCCC[C@H]1[C@@]2([H])NC(=O)N[C@@]2([H])CS1)NC(=O)CCOCCOCCOCCOCC#C |
| Synonyms | N-(Propargyl-PEG4)-Biocytin,
2055042-71-0,
BP-23287,
|
| Complexity | 885 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 614.299g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 614.755g/mol |
| Monoisotopic Mass | 614.299g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 199A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number