Mycoheptin
TL;DR: Mycoheptin (CAS 12609-89-1) is a chemical compound with molecular formula C47H71NO17 and molecular weight 921.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4R,7R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Also Known As: Mycoheptin, (1S,3R,4R,7R,11R,15S,16R,17R,18S,21Z,25Z,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
| Molecular Formula | C47H71NO17 |
|---|---|
| Molecular Weight | 921.47 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 3 |
| Exact Mass | 921.4722 |
| Heavy Atoms | 65 |
| Complexity | 1710.0 |
Chemical Identifiers
| CAS Number | 12609-89-1 |
|---|---|
| SMILES | C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H]([C@@H](CC[C@H](CC(=O)C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O |
| InChIKey | GXLOOVOKGBOVIH-JDNJHPPHSA-N |
Product Overview
Mycoheptin (CAS 12609-89-1), with molecular formula C47H71NO17 and molecular weight 921.47 g/mol. IUPAC: (1S,3R,4R,7R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.
Chemical Property Profile of Mycoheptin
Property Insights of Mycoheptin
The XLogP value of -0.4 indicates that Mycoheptin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 316.0 Ų indicates high polarity, suggesting Mycoheptin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycoheptin has 11 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 Mycoheptin?
The CAS number of Mycoheptin is 12609-89-1.
What is the molecular formula of Mycoheptin?
The molecular formula of Mycoheptin is C47H71NO17.
What is the molecular weight of Mycoheptin?
The molecular weight of Mycoheptin is 921.47 g/mol.
Where can I buy Mycoheptin?
You can request a quote for Mycoheptin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycoheptin?
Yes, KEHONG BIO provides custom synthesis services for Mycoheptin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.