TL;DR: geldanamycin (CAS 30562-34-6) is a chemical compound with molecular formula C29H40N2O9 and molecular weight 560.2734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate
Also Known As: geldanamycin, SMP1_000132, 4CA-0563, Geldanamycin from Streptomyces hygroscopicus, U-29135
| Molecular Formula | C29H40N2O9 |
| Molecular Weight | 560.2734 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.2734 Da |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
| SMILES | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC |
| InChIKey | QTQAWLPCGQOSGP-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for geldanamycin. The TPSA of 163.0 Ų indicates high polarity, suggesting geldanamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, geldanamycin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of geldanamycin is 30562-34-6.
The molecular formula of geldanamycin is C29H40N2O9.
The molecular weight of geldanamycin is 560.2734 g/mol.
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