| CAS Number | 251647-50-4 |
| Catalog Number | AG00C37K(AGN-PC-0R0WPU) |
| Chemical Name | N2-ISOBUTYRYL-5 , O-(4,4 -DIMETHOXYTRITYL)-2 -O-(2 |
| IUPAC Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
| InChI | InChI=1S/C38H43N5O9/c1-23(2)34(45)41-37-40-33-30(35(46)42-37)39-22-43(33)36-32(50-20-19-47-3)31(44)29(52-36)21-51-38(24-9-7-6-8-10-24,25-11-15-27(48-4)16-12-25)26-13-17-28(49-5)18-14-26/h6-18,22-23,29,31-32,36,44H,19-21H2,1-5H3,(H2,40,41,42,45,46)/t29-,31-,32-,36-/m1/s1 |
| InChI Key | XDLPRZLZAFJSMA-BEGXHNNXSA-N |
| MDL Number | MFCD03428520 |
| Molecular Formula | C38H43N5O9 |
| Molecular Weight | 713.7761 |
| SMILES | CC(C)C(=O)Nc1[nH]c2c(c(=O)n1)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)O)OCCOC |
| Synonyms | 251647-50-4,
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosine,
ZINC97974510,
SC-86821,
Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl],
N-(2-methylpropanoyl)-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)guanosine,
N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-(2-methoxyethoxy)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide,
XDLPRZLZAFJSMA-BEGXHNNXSA-N,
|
| Complexity | 1180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 713.306g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 713.788g/mol |
| Monoisotopic Mass | 713.306g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 164A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number