6-O-Corynomycoloyltrehalose
TL;DR: 6-O-Corynomycoloyltrehalose (CAS 68681-65-2) is a chemical compound with molecular formula C44H84O13 and molecular weight 820.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate
Also Known As: 6-O-Corynomycoloyltrehalose, 6-CMT, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate, 6-O-(3-Hydroxy-2-tetradecyloctadecanoyl)hexopyranosyl hexopyranoside, A-d-glucopyranosyl 6-o-(3-hydroxy-2-tetradecyloctadecanoyl)-
| Molecular Formula | C44H84O13 |
|---|---|
| Molecular Weight | 820.59 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 35 |
| Exact Mass | 820.5912 |
| Heavy Atoms | 57 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 68681-65-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O |
| InChIKey | MNBUNKPMKFIPAD-CEOJNNGDSA-N |
Product Overview
6-O-Corynomycoloyltrehalose (CAS 68681-65-2), with molecular formula C44H84O13 and molecular weight 820.59 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate.
Chemical Property Profile of 6-O-Corynomycoloyltrehalose
Property Insights of 6-O-Corynomycoloyltrehalose
The XLogP value of 10.3 indicates that 6-O-Corynomycoloyltrehalose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting 6-O-Corynomycoloyltrehalose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-Corynomycoloyltrehalose has 8 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 6-O-Corynomycoloyltrehalose?
The CAS number of 6-O-Corynomycoloyltrehalose is 68681-65-2.
What is the molecular formula of 6-O-Corynomycoloyltrehalose?
The molecular formula of 6-O-Corynomycoloyltrehalose is C44H84O13.
What is the molecular weight of 6-O-Corynomycoloyltrehalose?
The molecular weight of 6-O-Corynomycoloyltrehalose is 820.59 g/mol.
Where can I buy 6-O-Corynomycoloyltrehalose?
You can request a quote for 6-O-Corynomycoloyltrehalose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Corynomycoloyltrehalose?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Corynomycoloyltrehalose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.