TL;DR: Monazomycin B (CAS 129297-23-0) is a chemical compound with molecular formula C73H135N3O22 and molecular weight 1405.9537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[7-[4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-yl]octyl]guanidine
Also Known As: Monazomycin B, 54-Deamino-54-guanidinomonazomycin, 2-[7-[(21E)-4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-yl]octyl]guanidine, 2-[7-[4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-yl]octyl]guanidine
| Molecular Formula | C73H135N3O22 |
| Molecular Weight | 1405.9537 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 473.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 1405.9537 Da |
| Heavy Atoms | 98 |
| Complexity | 2390.0 |
| SMILES | CC1CCCCC(C(C(CCCCCC(=O)OC(C(C(CC(CC(C(C(C(C(C=C(CCC(=C(C(CC=C(CC(C(C(C(CC(=C(C(CC(C1O)C)C)O)C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)O)O)C)O)C)O)O)C)O)C)O)O)O)C)C(C)CCCCCCN=C(N)N)O)C)O |
| InChIKey | REVXXNFNSJENNN-OTOBSWJGSA-N |
The XLogP value of 5.7 indicates that Monazomycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 473.0 Ų indicates high polarity, suggesting Monazomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monazomycin B has 20 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Monazomycin B is 129297-23-0.
The molecular formula of Monazomycin B is C73H135N3O22.
The molecular weight of Monazomycin B is 1405.9537 g/mol.
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