(8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide
TL;DR: (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide (CAS 43179-91-5) is a chemical compound with molecular formula C37H65NO12 and molecular weight 715.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-(5-hydroxy-3-methoxy-3,6-dimethyloxan-2-yl)oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.3.1.01,14]hexadecan-7-one
Also Known As: Cid 83963, (8S,9S)-8,9-Anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide, Erythromycin, 9-deoxo-6,12-dideoxy-6,9:8,9-diepoxy-, (8S,9S)-, 11-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-(5-hydroxy-3-methoxy-3,6-dimethyloxan-2-yl)oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.3.1.01,14]hexadecan-7-one, 11-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-5-ethyl-3-hydroxy-9-[(5-hydroxy-3-methoxy-3,6-dimethyltetrahydro-2h-pyran-2-yl)oxy]-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.3.1.01,14]hexadecan-7-one(non-preferred name)
| Molecular Formula | C37H65NO12 |
|---|---|
| Molecular Weight | 715.45 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 715.4507 |
| Heavy Atoms | 50 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 43179-91-5 |
|---|---|
| SMILES | CCC1C(C(C(C23C(O2)(CC(O3)(C(C(C(C(C(=O)O1)C)OC4C(CC(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)O)C |
| InChIKey | GVGMVYJQAPZKRR-UHFFFAOYSA-N |
Product Overview
(8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide (CAS 43179-91-5), with molecular formula C37H65NO12 and molecular weight 715.45 g/mol. IUPAC: 11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-(5-hydroxy-3-methoxy-3,6-dimethyloxan-2-yl)oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.3.1.01,14]hexadecan-7-one.
Chemical Property Profile of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide
Property Insights of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide
The XLogP value of 3.2 indicates that (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide?
The CAS number of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide is 43179-91-5.
What is the molecular formula of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide?
The molecular formula of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide is C37H65NO12.
What is the molecular weight of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide?
The molecular weight of (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide is 715.45 g/mol.
Where can I buy (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide?
You can request a quote for (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide?
Yes, KEHONG BIO provides custom synthesis services for (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.