TL;DR: TUNICAMYCIN C2 HOMOLOG (CAS 73942-07-1) is a chemical compound with molecular formula C39H64N4O16 and molecular weight 844.4317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]hexadec-2-enamide
Also Known As: TUNICAMYCIN C2 HOMOLOG, N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]hexadec-2-enamide
| Molecular Formula | C39H64N4O16 |
| Molecular Weight | 844.4317 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 306.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 844.4317 Da |
| Heavy Atoms | 59 |
| Complexity | 1420.0 |
| SMILES | CCCCCCCCCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O |
| InChIKey | NKDRZEIENXWUCE-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TUNICAMYCIN C2 HOMOLOG. The TPSA of 306.0 Ų indicates high polarity, suggesting TUNICAMYCIN C2 HOMOLOG may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TUNICAMYCIN C2 HOMOLOG has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of TUNICAMYCIN C2 HOMOLOG is 73942-07-1.
The molecular formula of TUNICAMYCIN C2 HOMOLOG is C39H64N4O16.
The molecular weight of TUNICAMYCIN C2 HOMOLOG is 844.4317 g/mol.
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