TL;DR: 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine (CAS 103083-42-7) is a chemical compound with molecular formula C32H31N5O4 and molecular weight 549.2376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
Also Known As: 9-[2,3-o-(1-methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine, 9-[2,3-O-(1-Methylethylidene)-5-O-(triphenylmethyl)pentofuranosyl]-9H-purin-6-amine, 9-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
| Molecular Formula | C32H31N5O4 |
| Molecular Weight | 549.2376 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.2376 Da |
| Heavy Atoms | 41 |
| Complexity | 829.0 |
| SMILES | CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C |
| InChIKey | WEESNKCZWANQSJ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine. Following Lipinski's Rule of Five, 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine is 103083-42-7.
The molecular formula of 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine is C32H31N5O4.
The molecular weight of 9-[2,3-o-(1-Methylethylidene)-5-o-tritylpentofuranosyl]-9h-purin-6-amine is 549.2376 g/mol.
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