Spiramycin adipate
TL;DR: Spiramycin adipate (CAS 68880-55-7) is a chemical compound with molecular formula C49H84N2O18 and molecular weight 988.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4R,5S,6S,7R,9R,10R,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-[(5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;hexanedioic acid
Also Known As: Spiramycin adipate, 2-(Methylthio)pyridine, 2-[(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-{[(5S,6R)-5-(DIMETHYLAMINO)-6-METHYLOXAN-2-YL]OXY}-4-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-1-OXACYCLOHEXADECA-11,13-DIEN-7-YL]ACETALDEHYDE; ADIPIC ACID
| Molecular Formula | C49H84N2O18 |
|---|---|
| Molecular Weight | 988.57 g/mol |
| LogP | 3.0411 |
| Topological Polar Surface Area | 269.98 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Exact Mass | 988.5719 |
| Heavy Atoms | 69 |
| Complexity | 1614.3604 |
Chemical Identifiers
| CAS Number | 68880-55-7 |
|---|---|
| SMILES | C[C@@H]1CC=CC=C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)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)OC4CC[C@@H]([C@H](O4)C)N(C)C.C(CCC(=O)O)CC(=O)O |
Product Overview
Spiramycin adipate (CAS 68880-55-7), with molecular formula C49H84N2O18 and molecular weight 988.57 g/mol. IUPAC: 2-[(4R,5S,6S,7R,9R,10R,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-[(5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;hexanedioic acid.
Chemical Property Profile of Spiramycin adipate
Property Insights of Spiramycin adipate
The XLogP value of 3.0411 indicates that Spiramycin adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 269.98 Ų indicates high polarity, suggesting Spiramycin adipate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiramycin adipate has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiramycin adipate?
The CAS number of Spiramycin adipate is 68880-55-7.
What is the molecular formula of Spiramycin adipate?
The molecular formula of Spiramycin adipate is C49H84N2O18.
What is the molecular weight of Spiramycin adipate?
The molecular weight of Spiramycin adipate is 988.57 g/mol.
Where can I buy Spiramycin adipate?
You can request a quote for Spiramycin adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiramycin adipate?
Yes, KEHONG BIO provides custom synthesis services for Spiramycin adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.