| CAS Number | 1431618-70-0 |
| Catalog Number | AG00HWTK(AGN-PC-0WR1QN) |
| Chemical Name | Biotin-PEG3-Mal |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C25H39N5O8S/c31-20(4-2-1-3-19-24-18(17-39-19)28-25(35)29-24)26-8-11-36-13-15-38-16-14-37-12-9-27-21(32)7-10-30-22(33)5-6-23(30)34/h5-6,18-19,24H,1-4,7-17H2,(H,26,31)(H,27,32)(H2,28,29,35)/t18-,19-,24-/m0/s1 |
| InChI Key | OSIQQRWDJZNBFW-JXQFQVJHSA-N |
| MDL Number | MFCD26142993 |
| Molecular Formula | C25H39N5O8S |
| Molecular Weight | 569.6709 |
| SMILES | O=C1N(C(C=C1)=O)CCC(NCCOCCOCCOCCNC(CCCC[C@@H]1SC[C@@H]2NC(N[C@@H]21)=O)=O)=O |
| Synonyms | Biotin-PEG3-Mal,
(+)-Biotin-PEG3-NH-Mal,
1431618-70-0,
(+)-Biotin-PEG3-Maleimide,
BIPG1226,
MFCD26142993,
ZINC169724565,
BP-22148,
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| Complexity | 871 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 569.252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 569.674g/mol |
| Monoisotopic Mass | 569.252g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 190A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number