acetylspiramycin
TL;DR: acetylspiramycin (CAS 89000-32-8) is a chemical compound with molecular formula C45H76N2O15 and molecular weight 884.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Also Known As: acetylspiramycin, Spiramycin II, Foromacidin B, Spiramycin B, Spiramycin 2
| Molecular Formula | C45H76N2O15 |
|---|---|
| Molecular Weight | 884.52 g/mol |
| LogP | 2.8959 |
| Topological Polar Surface Area | 201.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 884.5246 |
| Heavy Atoms | 62 |
| Complexity | 1478.0974 |
Chemical Identifiers
| CAS Number | 89000-32-8 |
|---|---|
| SMILES | C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C |
Product Overview
acetylspiramycin (CAS 89000-32-8), with molecular formula C45H76N2O15 and molecular weight 884.52 g/mol. IUPAC: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate.
Chemical Property Profile of acetylspiramycin
Property Insights of acetylspiramycin
The XLogP value of 2.8959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetylspiramycin. The TPSA of 201.45 Ų indicates high polarity, suggesting acetylspiramycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, acetylspiramycin has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of acetylspiramycin?
The CAS number of acetylspiramycin is 89000-32-8.
What is the molecular formula of acetylspiramycin?
The molecular formula of acetylspiramycin is C45H76N2O15.
What is the molecular weight of acetylspiramycin?
The molecular weight of acetylspiramycin is 884.52 g/mol.
Where can I buy acetylspiramycin?
You can request a quote for acetylspiramycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for acetylspiramycin?
Yes, KEHONG BIO provides custom synthesis services for acetylspiramycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.