TL;DR: Dacrysterone (CAS 50299-45-1) is a chemical compound with molecular formula C28H46O8 and molecular weight 510.31927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,5S)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Also Known As: Dacrysterone, Dacrysteron, (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,5S)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one, 2,3,5,14,20,22,25-heptahydroxyergost-7-en-6-one, (14xi)-2beta,3beta,5,14,20,22,25-Heptahydroxy-5beta-ergost-7-en-6-one
| Molecular Formula | C28H46O8 |
| Molecular Weight | 510.31927 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.31927 Da |
| Heavy Atoms | 36 |
| Complexity | 948.0 |
| SMILES | C[C@@H](CC([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O)C(C)(C)O |
| InChIKey | LMQKRCYKYDRRFC-MUSQTIDQSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dacrysterone. The TPSA of 159.0 Ų indicates high polarity, suggesting Dacrysterone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dacrysterone has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dacrysterone is 50299-45-1.
The molecular formula of Dacrysterone is C28H46O8.
The molecular weight of Dacrysterone is 510.31927 g/mol.
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