TL;DR: [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate (CAS 115388-94-8) is a chemical compound with molecular formula C39H37N5O7 and molecular weight 687.2693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate
Also Known As: [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate|N6-Phenoxyacetyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine|((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-(bis(4-methoxyphenyl)(phenyl)methoxy)tetrahydrofuran-2-yl)methyl 2-phenoxyacetate|2-(4-(4-(2-METHOXYPHENYL)PIPERAZIN-1-YL)BUTYL)-ISOINDOLINE-1,3-DIONE HYDROBROMIDE|[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-[bis(4-methoxyphenyl)(phenyl)methoxy]oxolan-2-yl]methyl 2-phenoxyacetate|[5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-2-yl]methyl 2-phenoxyacetate|9-{3-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-5-O-(phenoxyacetyl)pentofuranosyl}-9H-purin-6-amine|N6-Phenoxyacetyl-5 inverted exclamation marka-O-(4,4 inverted exclamation marka-dimethoxytrityl)-2 inverted exclamation marka-deoxyadenosine
| Molecular Formula | C39H37N5O7 |
| Molecular Weight | 687.2693 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 687.2693 Da |
| Heavy Atoms | 51 |
| Complexity | 1050.0 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC4CC(OC4COC(=O)COC5=CC=CC=C5)N6C=NC7=C(N=CN=C76)N |
| InChIKey | NLUGRLLZQAIJEH-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate is 115388-94-8.
The molecular formula of [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate is C39H37N5O7.
The molecular weight of [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate is 687.2693 g/mol.
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