2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)
TL;DR: 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) (CAS 92751-84-3) is a chemical compound with molecular formula C26H42O13 and molecular weight 562.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)
6-[3-hydroxy-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoic acid
Also Known As: 2,6-dimethyl-6-(3-o-4-o-2,7-octadienoicacid
| Molecular Formula | C26H42O13 |
|---|---|
| Molecular Weight | 562.26 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 562.2625 |
| Heavy Atoms | 39 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 92751-84-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC1COC(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)OC(C)(CCC=C(C)C(=O)O)C=C |
| InChIKey | GNYMPFHKNUOPMB-UHFFFAOYSA-N |
Product Overview
2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) (CAS 92751-84-3), with molecular formula C26H42O13 and molecular weight 562.26 g/mol. IUPAC: 6-[3-hydroxy-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoic acid.
Chemical Property Profile of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)
Property Insights of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸). The TPSA of 202.0 Ų indicates high polarity, suggesting 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) has 6 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 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)?
The CAS number of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) is 92751-84-3.
What is the molecular formula of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)?
The molecular formula of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) is C26H42O13.
What is the molecular weight of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)?
The molecular weight of 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) is 562.26 g/mol.
Where can I buy 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)?
You can request a quote for 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸)?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二甲基-6-(3-O-4-O-2,7-辛二烯酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.