TL;DR: 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one (CAS 110914-68-6) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrrolo[3,2-c]pyridin-4-one
Also Known As: ADPPP, 6-Amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one, 6-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrrolo[3,2-c]pyridin-4-one, 4H-Pyrrolo(3,2-c)pyridin-4-one, 6-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,5-dihydro-, 6-Amino-1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-1,5-dihydro-4H-pyrrolo[3,2-c]pyridin-4-one
| Molecular Formula | C12H15N3O4 |
| Molecular Weight | 265.10626 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.10626 Da |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
| SMILES | C1[C@@H]([C@H](O[C@@H]1N2C=CC3=C2C=C(NC3=O)N)CO)O |
| InChIKey | VDSVBPDTEBRPDE-NGZCFLSTSA-N |
The XLogP value of -1.0 indicates that 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one. Following Lipinski's Rule of Five, 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one is 110914-68-6.
The molecular formula of 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one is C12H15N3O4.
The molecular weight of 6-amino-1-(2-deoxypentofuranosyl)-1H-pyrrolo(3,2-c)pyridin-4(5H)-one is 265.10626 g/mol.
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