TL;DR: Antibiotic A 201A (CAS 37305-78-5) is a chemical compound with molecular formula C37H50N6O14 and molecular weight 802.3385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[4-[(5Z)-3,4-dihydroxy-5-[2-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-1-methoxyethylidene]oxolan-2-yl]oxyphenyl]-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-methylprop-2-enamide
Also Known As: Antibiotic A 201A, A 201A, A-201A, (E)-3-[4-[(5Z)-3,4-dihydroxy-5-[2-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-1-methoxyethylidene]oxolan-2-yl]oxyphenyl]-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-methylprop-2-enamide, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine
| Molecular Formula | C37H50N6O14 |
| Molecular Weight | 802.3385 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 802.3385 Da |
| Heavy Atoms | 57 |
| Complexity | 1400.0 |
| SMILES | CC1C(C(C(C(O1)OC/C(=C/2\C(C(C(O2)OC3=CC=C(C=C3)/C=C(\C)/C(=O)NC4C(OC(C4O)N5C=NC6=C5N=CN=C6N(C)C)CO)O)O)/OC)O)OC)OC |
| InChIKey | HELPZWNRUYNCJQ-QWJSOBSRSA-N |
The XLogP value of -0.9 indicates that Antibiotic A 201A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting Antibiotic A 201A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic A 201A has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Antibiotic A 201A is 37305-78-5.
The molecular formula of Antibiotic A 201A is C37H50N6O14.
The molecular weight of Antibiotic A 201A is 802.3385 g/mol.
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