TL;DR: Rhizoxin D (CAS 103528-77-4) is a chemical compound with molecular formula C35H47NO7 and molecular weight 593.33527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3E,7S,9S,10E,12E,14R,15R)-9-hydroxy-7-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione
Also Known As: Rhizoxin D, (1R,3E,7S,9S,10E,12E,14R,15R)-9-hydroxy-7-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione, (1R,3E,7S,9S,10E,12E,14R,15R)-9-hydroxy-7-((2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl)-10,14-dimethyl-6,16-dioxabicyclo(13.3.1)nonadeca-3,10,12-triene-5,17-dione, (2E,5R,7R,8R,9E,11E,13S,15S,16S,17R,18E,20E,22E)-2,2-O:11,11-O-Diseco-3,12-dideoxy-2,3,11,12-tetradehydrorhizoxin
| Molecular Formula | C35H47NO7 |
| Molecular Weight | 593.33527 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.33527 Da |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
| SMILES | C[C@@H]1/C=C/C=C(/[C@H](C[C@H](OC(=O)/C=C/C[C@@H]2C[C@H]1OC(=O)C2)[C@H](C)[C@H](/C(=C/C=C/C(=C/C3=COC(=N3)C)/C)/C)OC)O)\C |
| InChIKey | BDCIVUTULLELHY-BRPJXHCYSA-N |
The XLogP value of 6.9 indicates that Rhizoxin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhizoxin D. Following Lipinski's Rule of Five, Rhizoxin D has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Rhizoxin D is 103528-77-4.
The molecular formula of Rhizoxin D is C35H47NO7.
The molecular weight of Rhizoxin D is 593.33527 g/mol.
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