TL;DR: 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin (CAS 15271-73-5) is a chemical compound with molecular formula C39H47NO15 and molecular weight 769.29456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(13-acetyloxy-2,15,18,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,17,23-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl)oxy]acetic acid
Also Known As: 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin
| Molecular Formula | C39H47NO15 |
| Molecular Weight | 769.29456 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 245.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 769.29456 Da |
| Heavy Atoms | 55 |
| Complexity | 1560.0 |
| SMILES | CC1C(C=COC2(C(=O)C3=C(O2)C(=C(C4=C(C(=CC(=C43)OCC(=O)O)NC(=O)C(=CC=CC(C(=O)C(C(C(C1OC(=O)C)C)O)C)(C)O)C)O)O)C)C)OC |
| InChIKey | WVPVVIOXGMSGRF-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 245.0 Ų indicates high polarity, suggesting 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin is 15271-73-5.
The molecular formula of 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin is C39H47NO15.
The molecular weight of 4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin is 769.29456 g/mol.
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