| CAS Number | 1807534-77-5 |
| Catalog Number | AG00I08D(AGN-PC-0WR1WC) |
| Chemical Name | 1,1-Dimethylethyl 15-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-15-thioxo-5,8,11-trioxa-2,14-diazapentadecanoate |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| InChI | InChI=1S/C34H39N3O10S/c1-33(2,3)47-32(41)36-11-13-43-15-17-44-16-14-42-12-10-35-31(48)37-21-4-7-25-24(18-21)30(40)46-34(25)26-8-5-22(38)19-28(26)45-29-20-23(39)6-9-27(29)34/h4-9,18-20,38-39H,10-17H2,1-3H3,(H,36,41)(H2,35,37,48) |
| InChI Key | SVPKKGHAKHLTNJ-UHFFFAOYSA-N |
| MDL Number | MFCD23726634 |
| Molecular Formula | C34H39N3O10S |
| Molecular Weight | 681.7526 |
| SMILES | OC=1C=CC=2C3(C4=CC=C(C=C4OC2C1)O)OC(C1=CC(=CC=C13)NC(NCCOCCOCCOCCNC(=O)OC(C)(C)C)=S)=O |
| Synonyms | Fluorescein-PEG3-(N-Boc)-Amine,
1807534-77-5,
BP-20957,
|
| Complexity | 1070 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 681.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 681.757g/mol |
| Monoisotopic Mass | 681.236g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 198A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number