Mycolactone
TL;DR: Mycolactone (CAS 222050-77-3) is a chemical compound with molecular formula C44H70O9 and molecular weight 742.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate
Also Known As: Mycolactone, [(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate, ((6S,7S,9E,12R)-12-((E,1S,5R,6R,8R)-6,8-dihydroxy-1,3,5-trimethyl-non-3-enyl)-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl) (2E,4E,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethyl-hexadeca-2,4,6,8,10-pentaenoate, (6S,7S,9E,12R)-12-[(2S,4E,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl (2E,4E,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate, [(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
| Molecular Formula | C44H70O9 |
|---|---|
| Molecular Weight | 742.50 g/mol |
| LogP | 7.5409 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 742.502 |
| Heavy Atoms | 53 |
| Complexity | 1346.0103 |
Chemical Identifiers
| CAS Number | 222050-77-3 |
|---|---|
| SMILES | C[C@H]1C/C(=C/C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C/[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C |
Product Overview
Mycolactone (CAS 222050-77-3), with molecular formula C44H70O9 and molecular weight 742.50 g/mol. IUPAC: [(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate.
Chemical Property Profile of Mycolactone
Property Insights of Mycolactone
The XLogP value of 7.5409 indicates that Mycolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.75 Ų indicates high polarity, suggesting Mycolactone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycolactone has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycolactone?
The CAS number of Mycolactone is 222050-77-3.
What is the molecular formula of Mycolactone?
The molecular formula of Mycolactone is C44H70O9.
What is the molecular weight of Mycolactone?
The molecular weight of Mycolactone is 742.50 g/mol.
Where can I buy Mycolactone?
You can request a quote for Mycolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycolactone?
Yes, KEHONG BIO provides custom synthesis services for Mycolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.