Aculeximycin
TL;DR: Aculeximycin (CAS 87912-51-4) is a chemical compound with molecular formula C81H144N2O33 and molecular weight 1672.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,4S,7R,9S,11E,15S,17E,19S,20R,21R,23R,24S,25R,29S,30R)-15-[(E,2R,3S,6R,7S,8S,9R)-9-[(2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-ethyl-3,7-dihydroxy-8-methyldodec-4-en-2-yl]-3-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12-ethyl-1,7,9,19,23,25,29,30-octahydroxy-4,18,20,24-tetramethyl-21-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,31-dioxabicyclo[25.3.1]hentriaconta-11,17-dien-13-one
Also Known As: Aculeximycin, (1R,3R,4S,7R,9S,11E,15S,17E,19S,20R,21R,23R,24S,25R,29S,30R)-15-[(E,2R,3S,6R,7S,8S,9R)-9-[(2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-ethyl-3,7-dihydroxy-8-methyldodec-4-en-2-yl]-3-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12-ethyl-1,7,9,19,23,25,29,30-octahydroxy-4,18,20,24-tetramethyl-21-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,31-dioxabicyclo[25.3.1]hentriaconta-11,17-dien-13-one, (3R,4S,5R,7R,8R,9S,10E,13S,16E,19S,21R,24S,25R,27R,28R,29S)-13-[(E,2R,3S,6R,7S,8S,9R)-9-[(2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-ethyl-3,7-dihydroxy-8-methyldodec-4-en-2-yl]-25-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-ethyl-3,5,9,19,21,27,28,29-octahydroxy-4,8,10,24-tetramethyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,31-dioxabicyclo[25.3.1]hentriaconta-10,16-dien-15-one
| Molecular Formula | C81H144N2O33 |
|---|---|
| Molecular Weight | 1672.97 g/mol |
| LogP | -1.7007 |
| Topological Polar Surface Area | 584.47 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 22 |
| Exact Mass | 1672.9651 |
| Heavy Atoms | 116 |
| Complexity | 3006.2214 |
Chemical Identifiers
| CAS Number | 87912-51-4 |
|---|---|
| SMILES | CCC[C@H]([C@@H](C)[C@H]([C@H](CC)/C=C/[C@@H]([C@@H](C)[C@@H]1C/C=C(/[C@H]([C@H]([C@@H](C[C@H]([C@H]([C@@H](CC2C[C@@H]([C@H]([C@](O2)(C[C@H]([C@H](CC[C@H](C[C@H](C/C=C(/C(=O)O1)\CC)O)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)N)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)O)O)O)O)C)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)\C)O)O)O[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)N |
Product Overview
Aculeximycin (CAS 87912-51-4), with molecular formula C81H144N2O33 and molecular weight 1672.97 g/mol. IUPAC: (1R,3R,4S,7R,9S,11E,15S,17E,19S,20R,21R,23R,24S,25R,29S,30R)-15-[(E,2R,3S,6R,7S,8S,9R)-9-[(2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-ethyl-3,7-dihydroxy-8-methyldodec-4-en-2-yl]-3-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12-ethyl-1,7,9,19,23,25,29,30-octahydroxy-4,18,20,24-tetramethyl-21-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,31-dioxabicyclo[25.3.1]hentriaconta-11,17-dien-13-one.
Chemical Property Profile of Aculeximycin
Property Insights of Aculeximycin
The XLogP value of -1.7007 indicates that Aculeximycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 584.47 Ų indicates high polarity, suggesting Aculeximycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aculeximycin has 22 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aculeximycin?
The CAS number of Aculeximycin is 87912-51-4.
What is the molecular formula of Aculeximycin?
The molecular formula of Aculeximycin is C81H144N2O33.
What is the molecular weight of Aculeximycin?
The molecular weight of Aculeximycin is 1672.97 g/mol.
Where can I buy Aculeximycin?
You can request a quote for Aculeximycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aculeximycin?
Yes, KEHONG BIO provides custom synthesis services for Aculeximycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.