Partricin A
TL;DR: Partricin A (CAS 76551-64-9) is a chemical compound with molecular formula C59H86N2O19 and molecular weight 1126.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Also Known As: Partricin A, EINECS 278-489-7, (4E,6E,8E,10Z,12Z,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid, Candicidin D, 40-demethyl-3,7-dideoxo-3,7-dihydroxy-N47-methyl-5-oxo-, cyclic 15,19-hemiacetal
| Molecular Formula | C59H86N2O19 |
|---|---|
| Molecular Weight | 1126.58 g/mol |
| LogP | 2.7459 |
| Topological Polar Surface Area | 365.78 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 1126.5825 |
| Heavy Atoms | 80 |
| Complexity | 2302.2197 |
Chemical Identifiers
| CAS Number | 76551-64-9 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)O)O)N)O |
Product Overview
Partricin A (CAS 76551-64-9), with molecular formula C59H86N2O19 and molecular weight 1126.58 g/mol. IUPAC: (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.
Chemical Property Profile of Partricin A
Property Insights of Partricin A
The XLogP value of 2.7459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Partricin A. The TPSA of 365.78 Ų indicates high polarity, suggesting Partricin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Partricin A has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Partricin A?
The CAS number of Partricin A is 76551-64-9.
What is the molecular formula of Partricin A?
The molecular formula of Partricin A is C59H86N2O19.
What is the molecular weight of Partricin A?
The molecular weight of Partricin A is 1126.58 g/mol.
Where can I buy Partricin A?
You can request a quote for Partricin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Partricin A?
Yes, KEHONG BIO provides custom synthesis services for Partricin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.