| CAS Number | 1537170-85-6 |
| Catalog Number | AG00ASFZ |
| Chemical Name | DBCO-PEG4-acid |
| IUPAC Name | 3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C30H36N2O8/c33-28(31-14-16-38-18-20-40-22-21-39-19-17-37-15-13-30(35)36)11-12-29(34)32-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)32/h1-8H,11-23H2,(H,31,33)(H,35,36) |
| InChI Key | LKSAMQQFMTVPKD-UHFFFAOYSA-N |
| MDL Number | MFCD22380749 |
| Molecular Formula | C30H36N2O8 |
| Molecular Weight | 552.6154 |
| SMILES | C(=O)(CCC(=O)NCCOCCOCCOCCOCCC(=O)O)N1c2c(C#Cc3c(C1)cccc3)cccc2 |
| Synonyms | DBCO-CONH-PEG4-acid,
1537170-85-6,
SCHEMBL19733756,
ADIBO-PEG4-acid, 90% (HPLC),
ZINC103640546,
BP-22290,
BP-23809,
AK00792977,
J3.538.682C,
15-(1,4-Dioxo-4-(5,6-dihydro-11,12-didehydrodibenzo[b,f]azocine-5-yl)butylamino)4,7,10,13-tetraoxapentadecanoic acid,
DBCO-PEG4-acid,
|
| Complexity | 853 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 552.247g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 552.624g/mol |
| Monoisotopic Mass | 552.247g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number