Kerriamycin A
TL;DR: Kerriamycin A (CAS 6072-04-4) is a chemical compound with molecular formula C43H54O17 and molecular weight 842.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-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: Kerriamycin A, KST-1A0197, (4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-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, (1r)-1,5-anhydro-2,6-dideoxy-3-o-{(2s,5s,6s)-5-[(2,6-dideoxy-, A-d-erythro-hexopyranosyl-3-ulose)oxy]-6-methyltetrahydro-2h-pyran-2-yl}-1-[(4ar,12bs)-3,4a,8-trihydroxy-12b-{[(2s,5s,6s)-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]-d-arabino-hexitol
| Molecular Formula | C43H54O17 |
|---|---|
| Molecular Weight | 842.34 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 842.3361 |
| Heavy Atoms | 60 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 6072-04-4 |
|---|---|
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@]23C(=O)CC(C[C@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8CC(=O)[C@@H]([C@H](O8)C)O)O)O)(C)O)O |
| InChIKey | XRDAMDDZBYHZDC-OFNNMFCHSA-N |
Product Overview
Kerriamycin A (CAS 6072-04-4), with molecular formula C43H54O17 and molecular weight 842.34 g/mol. IUPAC: (4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-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.
Chemical Property Profile of Kerriamycin A
Property Insights of Kerriamycin A
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kerriamycin A. The TPSA of 254.0 Ų indicates high polarity, suggesting Kerriamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kerriamycin A has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kerriamycin A?
The CAS number of Kerriamycin A is 6072-04-4.
What is the molecular formula of Kerriamycin A?
The molecular formula of Kerriamycin A is C43H54O17.
What is the molecular weight of Kerriamycin A?
The molecular weight of Kerriamycin A is 842.34 g/mol.
Where can I buy Kerriamycin A?
You can request a quote for Kerriamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kerriamycin A?
Yes, KEHONG BIO provides custom synthesis services for Kerriamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.