Oligomycin B
TL;DR: Oligomycin B (CAS 11050-94-5) is a chemical compound with molecular formula C45H72O12 and molecular weight 804.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,22S,25R,27R,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone
Also Known As: Oligomycin B
| Molecular Formula | C45H72O12 |
|---|---|
| Molecular Weight | 804.50 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 804.5024 |
| Heavy Atoms | 57 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 11050-94-5 |
|---|---|
| SMILES | CC[C@H]1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)C(=O)C[C@H]([C@H](O3)C[C@H](C)O)C)C)OC(=O)C=C[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C |
| InChIKey | QPRQJOHKNJIMGN-HFCHTRRZSA-N |
Product Overview
Oligomycin B (CAS 11050-94-5), with molecular formula C45H72O12 and molecular weight 804.50 g/mol. IUPAC: (1S,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,22S,25R,27R,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone.
Chemical Property Profile of Oligomycin B
Property Insights of Oligomycin B
The XLogP value of 6.1 indicates that Oligomycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Oligomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oligomycin B has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oligomycin B?
The CAS number of Oligomycin B is 11050-94-5.
What is the molecular formula of Oligomycin B?
The molecular formula of Oligomycin B is C45H72O12.
What is the molecular weight of Oligomycin B?
The molecular weight of Oligomycin B is 804.50 g/mol.
Where can I buy Oligomycin B?
You can request a quote for Oligomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oligomycin B?
Yes, KEHONG BIO provides custom synthesis services for Oligomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.