| CAS Number | 1155373-30-0 |
| Catalog Number | AG01EAVA |
| Chemical Name | Morpholino A monomer |
| IUPAC Name | N-[9-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]purin-6-yl]benzamide |
| InChI | InChI=1S/C38H37ClN7O4P/c1-44(2)51(39,48)49-25-32-23-45(38(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31)24-33(50-32)46-27-42-34-35(40-26-41-36(34)46)43-37(47)28-15-7-3-8-16-28/h3-22,26-27,32-33H,23-25H2,1-2H3,(H,40,41,43,47) |
| InChI Key | HRNHOEBQNIMEGD-UHFFFAOYSA-N |
| Molecular Formula | C38H37ClN7O4P |
| Molecular Weight | 722.1716 |
| SMILES | O=C(c1ccccc1)Nc1ncnc2c1ncn2C1OC(COP(=O)(N(C)C)Cl)CN(C1)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Synonyms | SCHEMBL15144429,
MFCD30475588,
(6-(6-Benzamido-9H-purin-9-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate,
1155373-30-0,
|
| Complexity | 1130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 721.233g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 722.183g/mol |
| Monoisotopic Mass | 721.233g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number