OM 4842
TL;DR: OM 4842 (CAS 115626-67-0) is a chemical compound with molecular formula C37H46O14 and molecular weight 714.28876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Also Known As: Urdamycin G, Aggreticin, OM 4842, Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-3-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-,(3R-(3-alpha,4a-alpha,12b-alpha(2S*,5S*,6S*)))-, Aggreticin, OM-4842, OM4842, OM 4842, Urdamycin G
Technical Specifications
| Molecular Formula | C37H46O14 |
| Molecular Weight | 714.28876 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 714.28876 Da |
| Heavy Atoms | 51 |
| Complexity | 1480.0 |
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)O)O |
| InChIKey | NXMILGRUJOPZOM-WCWCMWHBSA-N |
Chemical Property Profile of OM 4842
Property Insights of OM 4842
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for OM 4842. The TPSA of 219.0 Ų indicates high polarity, suggesting OM 4842 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, OM 4842 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of OM 4842?
The CAS number of OM 4842 is 115626-67-0.
What is the molecular formula of OM 4842?
The molecular formula of OM 4842 is C37H46O14.
What is the molecular weight of OM 4842?
The molecular weight of OM 4842 is 714.28876 g/mol.
Where can I buy OM 4842?
You can request a quote for OM 4842 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for OM 4842?
Yes, CoreyChem provides custom synthesis services for OM 4842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.