Spiramycin embonate
TL;DR: Spiramycin embonate (CAS 67724-08-7) is a chemical compound with molecular formula C66H90N2O20 and molecular weight 1230.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;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-[(2S,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
Also Known As: Spiramycin embonate
| Molecular Formula | C66H90N2O20 |
|---|---|
| Molecular Weight | 1230.61 g/mol |
| LogP | 6.7165 |
| Topological Polar Surface Area | 310.44 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 1230.6086 |
| Heavy Atoms | 88 |
| Complexity | 2975.7192 |
Chemical Identifiers
| CAS Number | 67724-08-7 |
|---|---|
| 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)O[C@@H]4CC[C@@H]([C@H](O4)C)N(C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O |
Product Overview
Spiramycin embonate (CAS 67724-08-7), with molecular formula C66H90N2O20 and molecular weight 1230.61 g/mol. IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;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-[(2S,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.
Chemical Property Profile of Spiramycin embonate
Property Insights of Spiramycin embonate
The XLogP value of 6.7165 indicates that Spiramycin embonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 310.44 Ų indicates high polarity, suggesting Spiramycin embonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiramycin embonate has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiramycin embonate?
The CAS number of Spiramycin embonate is 67724-08-7.
What is the molecular formula of Spiramycin embonate?
The molecular formula of Spiramycin embonate is C66H90N2O20.
What is the molecular weight of Spiramycin embonate?
The molecular weight of Spiramycin embonate is 1230.61 g/mol.
Where can I buy Spiramycin embonate?
You can request a quote for Spiramycin embonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiramycin embonate?
Yes, KEHONG BIO provides custom synthesis services for Spiramycin embonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.