| CAS Number | 2055014-69-0 |
| Catalog Number | AG019DYX |
| Chemical Name | 23-[(3′,6′-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoic acid |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C36H42N2O13S/c39-25-2-5-29-31(22-25)50-32-23-26(40)3-6-30(32)36(29)28-4-1-24(21-27(28)34(43)51-36)38-35(52)37-8-10-45-12-14-47-16-18-49-20-19-48-17-15-46-13-11-44-9-7-33(41)42/h1-6,21-23,39-40H,7-20H2,(H,41,42)(H2,37,38,52) |
| InChI Key | CATRUXJMOGOVAG-UHFFFAOYSA-N |
| Molecular Formula | C36H42N2O13S |
| Molecular Weight | 742.7893 |
| SMILES | OC=1C=CC=2C3(C4=CC=C(C=C4OC2C1)O)OC(C1=CC(=CC=C13)NC(NCCOCCOCCOCCOCCOCCOCCC(=O)O)=S)=O |
| Synonyms | Fluorescein-PEG6-Acid,
2055014-69-0,
BP-20955,
|
| Complexity | 1090 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 742.241g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 742.793g/mol |
| Monoisotopic Mass | 742.241g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 225A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number