Fusacandin A
TL;DR: Fusacandin A (CAS 166407-33-6) is a chemical compound with molecular formula C51H74O21 and molecular weight 1022.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
Also Known As: Fusacandin A, [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate, D-Glucitol, O-beta-D-galactopyranosyl-(1-2)-O-6-O-((2E,4Z)-1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl-(1-3)-1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-, 3-((2E,4E,7S,8E,10E)-7-hydroxy-2,4,8,10-hexadecatetraenoate), [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate, D-Glucitol, O-.beta.-D-galactopyranosyl-(1.fwdarw.2)-O-6-O-[(2E,4Z)-1-oxo-2,4-decadienyl]-.beta.-D-galactopyranosyl-(1.fwdarw.3)-1,5-anhydro-1-C-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-, 3-[(2E,4E,7S,8E,10E)-7-hydroxy-2,4,8,10-hexadecatetraenoate]
| Molecular Formula | C51H74O21 |
|---|---|
| Molecular Weight | 1022.47 g/mol |
| LogP | 1.104 |
| Topological Polar Surface Area | 341.51 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Exact Mass | 1022.4722 |
| Heavy Atoms | 72 |
| Complexity | 1966.7504 |
Chemical Identifiers
| CAS Number | 166407-33-6 |
|---|---|
| SMILES | CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)/C=C/C=C\CCCCC)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O |
Product Overview
Fusacandin A (CAS 166407-33-6), with molecular formula C51H74O21 and molecular weight 1022.47 g/mol. IUPAC: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate.
Chemical Property Profile of Fusacandin A
Property Insights of Fusacandin A
The XLogP value of 1.104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fusacandin A. The TPSA of 341.51 Ų indicates high polarity, suggesting Fusacandin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fusacandin A has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fusacandin A?
The CAS number of Fusacandin A is 166407-33-6.
What is the molecular formula of Fusacandin A?
The molecular formula of Fusacandin A is C51H74O21.
What is the molecular weight of Fusacandin A?
The molecular weight of Fusacandin A is 1022.47 g/mol.
Where can I buy Fusacandin A?
You can request a quote for Fusacandin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fusacandin A?
Yes, KEHONG BIO provides custom synthesis services for Fusacandin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.