Aquayamycin
TL;DR: Aquayamycin (CAS 26055-63-0) is a chemical compound with molecular formula C25H26O10 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Also Known As: Aquayamycin, Urdamycinone A, aquayayamycin, (1r)-1,5-anhydro-2,6-dideoxy-1-[(3r,4ar,12bs)-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]-d-arabino-hexitol, 9-(Tetrahydro-4',5'-dihydroxy-6'-methyl-2'H-pyran-2'-yl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-benz(a)anthracene-1,7,12(2H)-trione
| Molecular Formula | C25H26O10 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 486.1526 |
| Heavy Atoms | 35 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 26055-63-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=C[C@]5([C@@]4(C(=O)C[C@](C5)(C)O)O)O)O)O)O |
| InChIKey | KCOULPRVOZDQEL-IFNZWHIZSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aquayamycin (CAS 26055-63-0), with molecular formula C25H26O10 and molecular weight 486.15 g/mol. IUPAC: (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of Aquayamycin
Property Insights of Aquayamycin
The XLogP value of -1.2 indicates that Aquayamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting Aquayamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aquayamycin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aquayamycin?
The CAS number of Aquayamycin is 26055-63-0.
What is the molecular formula of Aquayamycin?
The molecular formula of Aquayamycin is C25H26O10.
What is the molecular weight of Aquayamycin?
The molecular weight of Aquayamycin is 486.15 g/mol.
Where can I buy Aquayamycin?
You can request a quote for Aquayamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aquayamycin?
Yes, KEHONG BIO provides custom synthesis services for Aquayamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.