TL;DR: Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) (CAS 106821-56-1) is a chemical compound with molecular formula C25H35NO10 and molecular weight 509.2261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,6S,7R,9R,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-11-[(2S)-1-hydroxypropan-2-yl]-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
Also Known As: 18-Hydroxyryanodine, 18-Hydroxyryanodol 3-(1H-pyrrole-2-carboxylate), Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate), BRN 6025253
| Molecular Formula | C25H35NO10 |
| Molecular Weight | 509.2261 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 193.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.2261 Da |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
| SMILES | C[C@H]1CC[C@@]2([C@]3(C[C@@]4([C@]5([C@]([C@H]([C@@]3([C@]5(C2([C@@H]1O)O4)O)O)OC(=O)C6=CC=CN6)([C@@H](C)CO)O)C)O)C)O |
| InChIKey | KIFLYJJBQSTPLB-FDNDMGBNSA-N |
The XLogP value of -1.1 indicates that Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) is 106821-56-1.
The molecular formula of Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) is C25H35NO10.
The molecular weight of Ryanodol, 18-hydroxy-, 3-(1H-pyrrole-2-carboxylate) is 509.2261 g/mol.
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