Polyketomycin
TL;DR: Polyketomycin (CAS 200625-47-4) is a chemical compound with molecular formula C44H48O18 and molecular weight 864.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-hydroxy-3,6-dimethylbenzoate
Also Known As: Polyketomycin, EX-A8585, [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-hydroxy-3,6-dimethylbenzoate, (2E,4S,4aR,12aS)-4-[[(2S,5S,6R)-5-[[2,6-Dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methyl-alpha-L-xylo-hexopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-4a,12a-dihydro-4a,11,12a-trihydroxy-2-(1-hydroxyethylidene)-8-methoxy-6-methyl-1,3,7,10,12(2H,4H,5H)-naphthacenepentone, (2R,3S,6S)-2-methyl-6-{[(1S,3E,4aS,12aR)-4a,6,12a-trihydroxy-3-(1-hydroxyethylidene)-9-methoxy-11-methyl-2,4,5,7,10-pentaoxo-1,2,3,4,4a,5,7,10,12,12a-decahydrotetracen-1-yl]oxy}tetrahydro-2H-pyran-3-yl 2,6-dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methyl-alpha-L-xylo-hexopyranoside
| Molecular Formula | C44H48O18 |
|---|---|
| Molecular Weight | 864.28 g/mol |
| LogP | 2.52406 |
| Topological Polar Surface Area | 279.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 864.28406 |
| Heavy Atoms | 62 |
| Complexity | 2408.815 |
Chemical Identifiers
| CAS Number | 200625-47-4 |
|---|---|
| SMILES | C[C@@H]1[C@H](CC[C@@H](O1)O[C@@H]2C(=O)C(=C([C@@]3([C@]2(CC4=C(C5=C(C(=O)C=C(C5=O)OC)C(=C4C3=O)O)C)O)O)O)C(=O)C)O[C@H]6C[C@@]([C@@H]([C@@H](O6)C)OC(=O)C7=C(C=CC(=C7O)C)C)(C)O |
Product Overview
Polyketomycin (CAS 200625-47-4), with molecular formula C44H48O18 and molecular weight 864.28 g/mol. IUPAC: [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-hydroxy-3,6-dimethylbenzoate.
Chemical Property Profile of Polyketomycin
Property Insights of Polyketomycin
The XLogP value of 2.52406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Polyketomycin. The TPSA of 279.18 Ų indicates high polarity, suggesting Polyketomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polyketomycin has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Polyketomycin?
The CAS number of Polyketomycin is 200625-47-4.
What is the molecular formula of Polyketomycin?
The molecular formula of Polyketomycin is C44H48O18.
What is the molecular weight of Polyketomycin?
The molecular weight of Polyketomycin is 864.28 g/mol.
Where can I buy Polyketomycin?
You can request a quote for Polyketomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polyketomycin?
Yes, KEHONG BIO provides custom synthesis services for Polyketomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.