| CAS Number | 252881-76-8 |
| Catalog Number | AG00BFYA(AGN-PC-0WOHNC) |
| Chemical Name | Biotin-PEG3-propionic acid |
| IUPAC Name | 3-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C19H33N3O7S/c23-16(4-2-1-3-15-18-14(13-30-15)21-19(26)22-18)20-6-8-28-10-12-29-11-9-27-7-5-17(24)25/h14-15,18H,1-13H2,(H,20,23)(H,24,25)(H2,21,22,26)/t14-,15-,18-/m0/s1 |
| InChI Key | HRGPPBXEZFBGDJ-MPGHIAIKSA-N |
| MDL Number | MFCD22574817 |
| Molecular Formula | C19H33N3O7S |
| Molecular Weight | 447.5462 |
| SMILES | O=C(O)CCOCCOCCOCCNC(CCCC[C@@H]1SC[C@]([C@@]([H])1N2)([H])NC2=O)=O |
| Synonyms | Biotin-PEG3-acid,
(+)-Biotin-PEG3-CH2CH2COOH,
252881-76-8,
Biotin-PEG3-propionic acid,
(+)-Biotin-PEG3-acid,
(+)-Biotin-PEG3-COOH,
BIPG1198,
ZINC83254110,
BP-20699,
18-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-14-oxo-4,7,10-trioxa-13-azaoctadecanoic acid,
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| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 447.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 447.547g/mol |
| Monoisotopic Mass | 447.204g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number