TL;DR: Pradimicin FA 2 (CAS 131443-10-2) is a chemical compound with molecular formula C39H42N2O19 and molecular weight 842.23816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Pradimicin FA 2
2-[[5-[5-amino-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
Also Known As: Pradimicin FA 2, Pradimicin FA-2, 2-[[5-[5-amino-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid, 2-({[5-({5-amino-3-hydroxy-6-methyl-4-[(3,4,5-trihydroxytetrahydro-2h-pyran-2-yl)oxy]tetrahydro-2h-pyran-2-yl}oxy)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)-3-hydroxypropanoic acid(non-preferred name), D-Serine, N-((5-((4-amino-4,6-dideoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
| Molecular Formula | C39H42N2O19 |
| Molecular Weight | 842.23816 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 355.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 842.23816 Da |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)N |
| InChIKey | JNJSOWKXFVKKCL-UHFFFAOYSA-N |
The XLogP value of -3.4 indicates that Pradimicin FA 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 355.0 Ų indicates high polarity, suggesting Pradimicin FA 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin FA 2 has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pradimicin FA 2 is 131443-10-2.
The molecular formula of Pradimicin FA 2 is C39H42N2O19.
The molecular weight of Pradimicin FA 2 is 842.23816 g/mol.
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