TL;DR: Tenuifoliose I (CAS 147742-14-1) is a chemical compound with molecular formula C59H72O33 and molecular weight 1308.3956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Also Known As: Tenuifoliose I, G89234
| Molecular Formula | C59H72O33 |
| Molecular Weight | 1308.3956 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 498.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 29 |
| Exact Mass | 1308.3956 Da |
| Heavy Atoms | 92 |
| Complexity | 2430.0 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)COC(=O)C)OC(=O)/C=C/C7=CC=C(C=C7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O |
| InChIKey | IMBDWRYPYUQSAB-DBDVOFPDSA-N |
The XLogP value of -2.3 indicates that Tenuifoliose I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 498.0 Ų indicates high polarity, suggesting Tenuifoliose I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tenuifoliose I has 14 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tenuifoliose I is 147742-14-1.
The molecular formula of Tenuifoliose I is C59H72O33.
The molecular weight of Tenuifoliose I is 1308.3956 g/mol.
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