TL;DR: 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine (CAS 132194-22-0) is a chemical compound with molecular formula C10H12BrN5O2 and molecular weight 313.01743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,5R)-5-(2-amino-6-bromopurin-9-yl)oxolan-2-yl]methanol
Also Known As: 2-Amino-6-bromo-ddP, 2-NH2-6Br-ddP, [(2S,5R)-5-(2-amino-6-bromopurin-9-yl)oxolan-2-yl]methanol, 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine, (2S)-5alpha-(2-Amino-6-bromo-9H-purine-9-yl)tetrahydrofuran-2alpha-methanol
| Molecular Formula | C10H12BrN5O2 |
| Molecular Weight | 313.01743 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.01743 Da |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
| SMILES | C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3Br)N |
| InChIKey | WXINSBSCFDVBBO-NTSWFWBYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine. Following Lipinski's Rule of Five, 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine is 132194-22-0.
The molecular formula of 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine is C10H12BrN5O2.
The molecular weight of 2-Amino-6-bromo-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine is 313.01743 g/mol.
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