Aponatamycin
TL;DR: Aponatamycin (CAS 60395-06-4) is a chemical compound with molecular formula C60H87NO25 and molecular weight 1221.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,10-dioxo-1-oxacyclohexacosa-3,17,19,21-tetraene-13-carboxylic acid
Also Known As: Aponatamycin, (3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,10-dioxo-1-oxacyclohexacosa-3,17,19,21-tetraene-13-carboxylic acid, Oxacyclohexacosa-3,16,18,21,23-pentaene-13-carboxylic acid,20-(12-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-15-carboxy-5,14,16,20,22,23-hexahydroxy-2-methyl-18,26-dioxooxacyclohexacosa-6,8,10,24-tetraen-4-yl)-5,6,8,12,14-pentahydroxy-26-methyl-2,10-dioxo-
| Molecular Formula | C60H87NO25 |
|---|---|
| Molecular Weight | 1221.56 g/mol |
| LogP | -1.295 |
| Topological Polar Surface Area | 468.81 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 5 |
| Exact Mass | 1221.5568 |
| Heavy Atoms | 86 |
| Complexity | 2435.426 |
Chemical Identifiers
| CAS Number | 60395-06-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC/2CC(C(C(CC(=O)CC(CC(C(/C=C\C(=O)OC(CC(C(/C=C\C=C/C=C2)O)C\3/C=C\C=CCC(OC(=O)/C=C\C(C(CC(CC(=O)CC(C(C(C/C=C\C=C3)O)C(=O)O)O)O)O)O)C)C)O)O)O)O)C(=O)O)O)O)N)O |
Product Overview
Aponatamycin (CAS 60395-06-4), with molecular formula C60H87NO25 and molecular weight 1221.56 g/mol. IUPAC: (3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,10-dioxo-1-oxacyclohexacosa-3,17,19,21-tetraene-13-carboxylic acid.
Chemical Property Profile of Aponatamycin
Property Insights of Aponatamycin
The XLogP value of -1.295 indicates that Aponatamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 468.81 Ų indicates high polarity, suggesting Aponatamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aponatamycin has 16 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aponatamycin?
The CAS number of Aponatamycin is 60395-06-4.
What is the molecular formula of Aponatamycin?
The molecular formula of Aponatamycin is C60H87NO25.
What is the molecular weight of Aponatamycin?
The molecular weight of Aponatamycin is 1221.56 g/mol.
Where can I buy Aponatamycin?
You can request a quote for Aponatamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aponatamycin?
Yes, KEHONG BIO provides custom synthesis services for Aponatamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.