Chloromaloside A
TL;DR: Chloromaloside A (CAS 133024-11-0) is a chemical compound with molecular formula C50H80O23 and molecular weight 1048.509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Also Known As: Chloromaloside A, Thiodibenzoyl-methan, (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one, Neo-hecogenin 3-O-glucopyranosyl-1-2-(xylopyranosyl-1-3)glucopyranosyl-1-4-galactopyranoside, Spirostan-12-one, 3-((O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3beta,5alpha,25S)-
Technical Specifications
| Molecular Formula | C50H80O23 |
| Molecular Weight | 1048.509 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 352.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 1048.509 Da |
| Heavy Atoms | 73 |
| Complexity | 1920.0 |
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)OC9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | IXUNZKARBRITGN-DRYZWBPLSA-N |
Chemical Property Profile of Chloromaloside A
Property Insights of Chloromaloside A
The XLogP value of -2.0 indicates that Chloromaloside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 352.0 Ų indicates high polarity, suggesting Chloromaloside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloromaloside A has 12 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chloromaloside A?
The CAS number of Chloromaloside A is 133024-11-0.
What is the molecular formula of Chloromaloside A?
The molecular formula of Chloromaloside A is C50H80O23.
What is the molecular weight of Chloromaloside A?
The molecular weight of Chloromaloside A is 1048.509 g/mol.
Where can I buy Chloromaloside A?
You can request a quote for Chloromaloside A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloromaloside A?
Yes, CoreyChem provides custom synthesis services for Chloromaloside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.