TL;DR: CP 72588 (CAS 145514-43-8) is a chemical compound with molecular formula C53H90O18 and molecular weight 1014.61273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(2S,3S,4S,5R,6S)-6-[(1R)-1-[(2S,7S,8R,9S)-7-hydroxy-2-[(5S)-5-[(2R,3S,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3-methyloxan-2-yl]propaneperoxoic acid
Also Known As: CP 72588, (2R)-2-[(2S,3S,4S,5R,6S)-6-[(1R)-1-[(2S,7S,8R,9S)-7-Hydroxy-2-[(5S)-5-[(2R,3S,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3-methyloxan-2-yl]propaneperoxoic acid, (2R)-2-[(2S,3S,4S,5R,6S)-6-[(1R)-1-[(3S,7S,8R,9S)-7-hydroxy-3-[(5S)-5-[(2R,3S,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3-methyloxan-2-yl]propaneperoxoic acid
| Molecular Formula | C53H90O18 |
| Molecular Weight | 1014.61273 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 1014.61273 Da |
| Heavy Atoms | 71 |
| Complexity | 1780.0 |
| SMILES | C[C@H]1C[C@H]([C@@](OC1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CCC(O3)[C@@]4(CCC5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@H]([C@H]([C@H]([C@H](O6)[C@@H](C)C(=O)OO)C)OC7CCC(C(O7)C)OC)OC)C)O)C)C)O[C@H]8CC[C@@H]([C@H](O8)C)OC)(C)O)C |
| InChIKey | PJSDPLKFJIQVAK-LBQAIDQBSA-N |
The XLogP value of 5.8 indicates that CP 72588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting CP 72588 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CP 72588 has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CP 72588 is 145514-43-8.
The molecular formula of CP 72588 is C53H90O18.
The molecular weight of CP 72588 is 1014.61273 g/mol.
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