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Fluorescein-DBCO
| Catalog Number | CCR2054339001 |
| CAS | 2054339-00-1 |
| Synonyms | DBCO-FITC(5-isomer) |
| IUPAC Name | 1-[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea |
| Molecular Weight | 665.71 |
| Molecular Formula | C39H27N3O6S |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O |
| InChI | InChI=1S/C39H27N3O6S/c43-27-12-15-31-34(20-27)47-35-21-28(44)13-16-32(35)39(31)30-14-11-26(19-29(30)37(46)48-39)41-38(49)40-18-17-36(45)42-22-25-7-2-1-5-23(25)9-10-24-6-3-4-8-33(24)42/h1-8,11-16,19-21,43-44H,17-18,22H2,(H2,40,41,49) |
| InChI Key | FGEDVMJBPDYXLU-UHFFFAOYSA-N |
| Boiling Point | 969.9±75.0 °C(Predicted) |
| Density | 1.57±0.1 g/cm3(Predicted) |
| Solubility | Soluble in DMSO, DMF, DCM |
| Appearance | Solid |
| Application | SPAAC & SPANC Click Reaction |
| Storage | 4 °C, Stored under nitrogen |
| Complexity | 1320 |
| Exact Mass | 665.16205676 |
| Monoisotopic Mass | 665.16205676 |
| pKa | 9.33±0.20(Predicted) |
| Topological Polar Surface Area | 152Ų |
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