Chloroorienticin A
TL;DR: Chloroorienticin A (CAS 118395-73-6) is a chemical compound with molecular formula C73H88Cl2N10O26 and molecular weight 1590.5248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(2S,3R,5S,6R)-3-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Also Known As: Chloroorienticin A, Chloroeremomycin, A 82846B, LY 264826, 8-82846A
Technical Specifications
| Molecular Formula | C73H88Cl2N10O26 |
| Molecular Weight | 1590.5248 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 575.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 15 |
| Exact Mass | 1590.5248 Da |
| Heavy Atoms | 111 |
| Complexity | 3300.0 |
| SMILES | C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@H](C2O)O)CO)OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O)C(=O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)Cl)(C)N)O |
| InChIKey | XJHXLMVKYIVZTE-FIUQLALASA-N |
Chemical Property Profile of Chloroorienticin A
Property Insights of Chloroorienticin A
The XLogP value of -2.8 indicates that Chloroorienticin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 575.0 Ų indicates high polarity, suggesting Chloroorienticin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroorienticin A has 20 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chloroorienticin A?
The CAS number of Chloroorienticin A is 118395-73-6.
What is the molecular formula of Chloroorienticin A?
The molecular formula of Chloroorienticin A is C73H88Cl2N10O26.
What is the molecular weight of Chloroorienticin A?
The molecular weight of Chloroorienticin A is 1590.5248 g/mol.
Where can I buy Chloroorienticin A?
You can request a quote for Chloroorienticin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloroorienticin A?
Yes, CoreyChem provides custom synthesis services for Chloroorienticin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.