Avilamycin
TL;DR: Avilamycin (CAS 11051-71-1) is a chemical compound with molecular formula C61H88Cl2O32 and molecular weight 1402.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Also Known As: Avilamycin, Avilamycin A, Surmax, Avilamycinum, Avilamycina
| Molecular Formula | C61H88Cl2O32 |
|---|---|
| Molecular Weight | 1402.46 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 385.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 20 |
| Exact Mass | 1402.4636 |
| Heavy Atoms | 95 |
| Complexity | 2660.0 |
| Melting Point | 188-189.5 °C |
Chemical Identifiers
| CAS Number | 11051-71-1 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](OC3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)OC7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C |
| InChIKey | XIRGHRXBGGPPKY-OTPQUNEMSA-N |
Product Overview
Avilamycin (CAS 11051-71-1), with molecular formula C61H88Cl2O32 and molecular weight 1402.46 g/mol. IUPAC: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate.
Chemical Property Profile of Avilamycin
Property Insights of Avilamycin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Avilamycin. The TPSA of 385.0 Ų indicates high polarity, suggesting Avilamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avilamycin has 6 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Avilamycin?
The CAS number of Avilamycin is 11051-71-1.
What is the molecular formula of Avilamycin?
The molecular formula of Avilamycin is C61H88Cl2O32.
What is the molecular weight of Avilamycin?
The molecular weight of Avilamycin is 1402.46 g/mol.
Where can I buy Avilamycin?
You can request a quote for Avilamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avilamycin?
Yes, KEHONG BIO provides custom synthesis services for Avilamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.