TL;DR: 3'DiBuNH-5',N6(4MeOTrityl)dA (CAS 134934-67-1) is a chemical compound with molecular formula C58H62N6O5 and molecular weight 922.47815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4S,5S)-4-(dibutylamino)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
Also Known As: 3'DiBuNH-5',N6(4MeOTrityl)dA, 3'-(N,N-Di-n-butylamino)-5',N6-bis(4-methoxytrityl)-3'-deoxyadenosine, 9H-Purin-6-amine, 9-(3-deoxy-3-(dibutylamino)-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-arabinofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-, (2R,3S,4S,5S)-4-(dibutylamino)-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]tetrahydrofuran-3-ol, (2R,3S,4S,5S)-4-(dibutylamino)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
| Molecular Formula | C58H62N6O5 |
| Molecular Weight | 922.47815 g/mol |
| XLogP | 11.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Exact Mass | 922.47815 Da |
| Heavy Atoms | 69 |
| Complexity | 1430.0 |
| SMILES | CCCCN(CCCC)[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=NC3=C(N=CN=C32)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC |
| InChIKey | XFFHIVTVTPXQRW-WULCZDGASA-N |
The XLogP value of 11.3 indicates that 3'DiBuNH-5',N6(4MeOTrityl)dA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'DiBuNH-5',N6(4MeOTrityl)dA. Following Lipinski's Rule of Five, 3'DiBuNH-5',N6(4MeOTrityl)dA has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'DiBuNH-5',N6(4MeOTrityl)dA is 134934-67-1.
The molecular formula of 3'DiBuNH-5',N6(4MeOTrityl)dA is C58H62N6O5.
The molecular weight of 3'DiBuNH-5',N6(4MeOTrityl)dA is 922.47815 g/mol.
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