Corynecandin
TL;DR: Corynecandin (CAS 199169-60-3) is a chemical compound with molecular formula C41H60O16 and molecular weight 808.39 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]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyldeca-2,4-dienoate
Also Known As: Corynecandin, [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyldeca-2,4-dienoate, D-Glucitol, 1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-((2E,4Z)-1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl)-, 3-((2E,4E)-7-hydroxy-2,8-dimethyl-2,4-decadienoate), [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyl-deca-2,4-dienoate, D-Glucitol, 1,5-anhydro-1-C-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-4-O-[6- O-[(2E,4Z)-1-oxo-2,4-decadienyl]-.beta.-D-galactopyranosyl]-, 3-[(2E,4E)-7-hydroxy-2,8-dimethyl-2,4-decadienoate]
| Molecular Formula | C41H60O16 |
|---|---|
| Molecular Weight | 808.39 g/mol |
| LogP | 2.0233 |
| Topological Polar Surface Area | 262.36 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Exact Mass | 808.3881 |
| Heavy Atoms | 57 |
| Complexity | 1540.4152 |
Chemical Identifiers
| CAS Number | 199169-60-3 |
|---|---|
| SMILES | CCCCC/C=C\C=C\C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)/C(=C/C=C/CC(C(C)CC)O)/C)O)C3=C(C=C(C=C3O)O)CO)CO)O)O)O |
Product Overview
Corynecandin (CAS 199169-60-3), with molecular formula C41H60O16 and molecular weight 808.39 g/mol. IUPAC: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyldeca-2,4-dienoate.
Chemical Property Profile of Corynecandin
Property Insights of Corynecandin
The XLogP value of 2.0233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Corynecandin. The TPSA of 262.36 Ų indicates high polarity, suggesting Corynecandin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Corynecandin has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Corynecandin?
The CAS number of Corynecandin is 199169-60-3.
What is the molecular formula of Corynecandin?
The molecular formula of Corynecandin is C41H60O16.
What is the molecular weight of Corynecandin?
The molecular weight of Corynecandin is 808.39 g/mol.
Where can I buy Corynecandin?
You can request a quote for Corynecandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Corynecandin?
Yes, KEHONG BIO provides custom synthesis services for Corynecandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.