| CAS Number | 1404091-23-1 |
| Catalog Number | AG01EO4V(AGN-PC-3H466P) |
| Chemical Name | NucPE1 |
| IUPAC Name | 3'-(ethylamino)-2'-methyl-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI | InChI=1S/C29H30BNO5/c1-7-31-23-16-25-22(14-17(23)2)29(20-11-9-8-10-19(20)26(32)34-29)21-13-12-18(15-24(21)33-25)30-35-27(3,4)28(5,6)36-30/h8-16,31H,7H2,1-6H3 |
| InChI Key | GHPDUBPWQBBRPG-UHFFFAOYSA-N |
| MDL Number | MFCD31544335 |
| Molecular Formula | C29H30BNO5 |
| Molecular Weight | 483.3632 |
| SMILES | C12(C3=C(C=C(B4OC(C)(C)C(C)(C)O4)C=C3)OC3=C1C=C(C)C(NCC)=C3)C1=C(C=CC=C1)C(=O)O2 |
| Synonyms | NucPE1,
1404091-23-1,
HY-101859,
CS-7002,
|
| Complexity | 849 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 483.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 483.371g/mol |
| Monoisotopic Mass | 483.222g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number