TL;DR: 3'Morph-5',N6(4MeOTrityl)dA (CAS 134934-59-1) is a chemical compound with molecular formula C54H52N6O6 and molecular weight 880.39484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4S,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-morpholin-4-yloxolan-3-ol
Also Known As: 3'Morph-5',N6(4MeOTrityl)dA, 3'-Morpholino-5',N6-bis(4-methoxytrityl)-3'-deoxyadenosine, 9H-Purin-6-amine, 9-(3-deoxy-5-O-((4-methoxyphenyl)diphenylmethyl)-3-(4-morpholinyl)-beta-D-arabinofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-, 3'-Morpholino-5'-(4-methoxytrityl)-3'-deoxythymidine, (2R,3S,4S,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-morpholin-4-yloxolan-3-ol
| Molecular Formula | C54H52N6O6 |
| Molecular Weight | 880.39484 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 880.39484 Da |
| Heavy Atoms | 66 |
| Complexity | 1410.0 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@H]([C@@H]([C@H](O6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)N1CCOCC1)O |
| InChIKey | DHHHXOZHKKUMPQ-JKGXBWLBSA-N |
The XLogP value of 8.4 indicates that 3'Morph-5',N6(4MeOTrityl)dA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'Morph-5',N6(4MeOTrityl)dA. Following Lipinski's Rule of Five, 3'Morph-5',N6(4MeOTrityl)dA has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'Morph-5',N6(4MeOTrityl)dA is 134934-59-1.
The molecular formula of 3'Morph-5',N6(4MeOTrityl)dA is C54H52N6O6.
The molecular weight of 3'Morph-5',N6(4MeOTrityl)dA is 880.39484 g/mol.
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