| CAS Number | 160513-05-3 |
| Catalog Number | AG01FL6P(AGN-PC-3H4B24) |
| Chemical Name | N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3,4-bis((tert-butyldimethylsilyl)oxy)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide |
| IUPAC Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-yl]benzamide |
| InChI | InChI=1S/C50H63N5O7Si2/c1-48(2,3)63(9,10)61-42-40(31-59-50(35-21-17-14-18-22-35,36-23-27-38(57-7)28-24-36)37-25-29-39(58-8)30-26-37)60-47(43(42)62-64(11,12)49(4,5)6)55-33-53-41-44(51-32-52-45(41)55)54-46(56)34-19-15-13-16-20-34/h13-30,32-33,40,42-43,47H,31H2,1-12H3,(H,51,52,54,56)/t40-,42-,43-,47-/m1/s1 |
| InChI Key | ORRGOXHOIQNRJM-NAFPVWBESA-N |
| MDL Number | MFCD31731542 |
| Molecular Formula | C50H63N5O7Si2 |
| Molecular Weight | 902.2355 |
| SMILES | COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)n1cnc2c1ncnc2NC(=O)c1ccccc1 |
| Synonyms | N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3,4-bis((tert-butyldimethylsilyl)oxy)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide,
160513-05-3,
CS-0079993,
|
| Complexity | 1460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 901.426602g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 64 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 902.2g/mol |
| Monoisotopic Mass | 901.426602g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 128Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number