Desacetoxy-zaragozic acid C
TL;DR: Desacetoxy-zaragozic acid C (CAS 160548-95-8) is a chemical compound with molecular formula C38H48O12 and molecular weight 696.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-4,7-dihydroxy-1-(5-methyl-6-phenylhexyl)-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Also Known As: Desacetoxy-zaragozic acid C, L-735021, L 735021, (6R,7R)-1-(5-benzylhexyl)-4,7-dihydroxy-6-{[(4E)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid, (6R,7R)-4,7-Dihydroxy-1-(5-methyl-6-phenylhexyl)-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
| Molecular Formula | C38H48O12 |
|---|---|
| Molecular Weight | 696.31 g/mol |
| LogP | 4.5427 |
| Topological Polar Surface Area | 197.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 696.3146 |
| Heavy Atoms | 50 |
| Complexity | 1495.6227 |
Chemical Identifiers
| CAS Number | 160548-95-8 |
|---|---|
| SMILES | CC(CCCCC12[C@@H]([C@H](C(O1)(C(C(O2)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)CC/C=C/C(C)CCCC3=CC=CC=C3)O)CC4=CC=CC=C4 |
Product Overview
Desacetoxy-zaragozic acid C (CAS 160548-95-8), with molecular formula C38H48O12 and molecular weight 696.31 g/mol. IUPAC: (6R,7R)-4,7-dihydroxy-1-(5-methyl-6-phenylhexyl)-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid.
Chemical Property Profile of Desacetoxy-zaragozic acid C
Property Insights of Desacetoxy-zaragozic acid C
The XLogP value of 4.5427 indicates that Desacetoxy-zaragozic acid C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.12 Ų indicates high polarity, suggesting Desacetoxy-zaragozic acid C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desacetoxy-zaragozic acid C 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 Desacetoxy-zaragozic acid C?
The CAS number of Desacetoxy-zaragozic acid C is 160548-95-8.
What is the molecular formula of Desacetoxy-zaragozic acid C?
The molecular formula of Desacetoxy-zaragozic acid C is C38H48O12.
What is the molecular weight of Desacetoxy-zaragozic acid C?
The molecular weight of Desacetoxy-zaragozic acid C is 696.31 g/mol.
Where can I buy Desacetoxy-zaragozic acid C?
You can request a quote for Desacetoxy-zaragozic acid C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetoxy-zaragozic acid C?
Yes, KEHONG BIO provides custom synthesis services for Desacetoxy-zaragozic acid C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.