Anthroylouabain
TL;DR: Anthroylouabain (CAS 6315-80-6) is a chemical compound with molecular formula C44H52O13 and molecular weight 788.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(1R,3S,5S,8R,9S,10R,11R,13R,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-4-yl] anthracene-9-carboxylate
Also Known As: Anthroylouabain, KST-1A6812, Card-20(22)-enolide, 3-((3-O-(9-anthracenylcarbonyl)-6-deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,11alpha)-, (1, A,3
| Molecular Formula | C44H52O13 |
|---|---|
| Molecular Weight | 788.34 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 788.3408 |
| Heavy Atoms | 57 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 6315-80-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)C5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)C7=C8C=CC=CC8=CC9=CC=CC=C97)O |
| InChIKey | CSNRMZGUGASWCS-ZNXNOWCASA-N |
Product Overview
Anthroylouabain (CAS 6315-80-6), with molecular formula C44H52O13 and molecular weight 788.34 g/mol. IUPAC: [(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(1R,3S,5S,8R,9S,10R,11R,13R,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-4-yl] anthracene-9-carboxylate.
Chemical Property Profile of Anthroylouabain
Property Insights of Anthroylouabain
The XLogP value of 3.0 indicates that Anthroylouabain is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting Anthroylouabain may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthroylouabain has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthroylouabain?
The CAS number of Anthroylouabain is 6315-80-6.
What is the molecular formula of Anthroylouabain?
The molecular formula of Anthroylouabain is C44H52O13.
What is the molecular weight of Anthroylouabain?
The molecular weight of Anthroylouabain is 788.34 g/mol.
Where can I buy Anthroylouabain?
You can request a quote for Anthroylouabain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthroylouabain?
Yes, KEHONG BIO provides custom synthesis services for Anthroylouabain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.