TL;DR: 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide (CAS 127880-87-9) is a chemical compound with molecular formula C12H14N8O4 and molecular weight 334.1138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-7-[(2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide, 4-amino-7-((2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-7-(2-azido-2-deoxy-beta-D-arabinofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, amide, 4-amino-7-[(2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
| Molecular Formula | C12H14N8O4 |
| Molecular Weight | 334.1138 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1138 Da |
| Heavy Atoms | 24 |
| Complexity | 543.0 |
| SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)N=[N+]=[N-])N)C(=O)N |
| InChIKey | BCPNQDQDFLHWOD-ADVRJHOBSA-N |
The XLogP value of -0.9 indicates that 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide is 127880-87-9.
The molecular formula of 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide is C12H14N8O4.
The molecular weight of 4-Amino-7-(3-azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, amide is 334.1138 g/mol.
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