Desoxynigericin
TL;DR: Desoxynigericin (CAS 31357-58-1) is a chemical compound with molecular formula C40H68O10 and molecular weight 708.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,6R)-6-[[(5R,6R,7R,9R)-2-[5-[(3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid
Also Known As: Desoxynigericin, Epigrisorixin, Grisorixin, Grisorixine, 30-Deoxynigericin
| Molecular Formula | C40H68O10 |
|---|---|
| Molecular Weight | 708.48 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 708.48126 |
| Heavy Atoms | 50 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 31357-58-1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](OC1C(C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(C)O)C)C)C)C)C)OC |
| InChIKey | ZITSQIZMRMDQLE-RHQSYKMPSA-N |
Product Overview
Desoxynigericin (CAS 31357-58-1), with molecular formula C40H68O10 and molecular weight 708.48 g/mol. IUPAC: 2-[(3S,6R)-6-[[(5R,6R,7R,9R)-2-[5-[(3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid.
Chemical Property Profile of Desoxynigericin
Property Insights of Desoxynigericin
The XLogP value of 6.6 indicates that Desoxynigericin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desoxynigericin. Following Lipinski's Rule of Five, Desoxynigericin has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desoxynigericin?
The CAS number of Desoxynigericin is 31357-58-1.
What is the molecular formula of Desoxynigericin?
The molecular formula of Desoxynigericin is C40H68O10.
What is the molecular weight of Desoxynigericin?
The molecular weight of Desoxynigericin is 708.48 g/mol.
Where can I buy Desoxynigericin?
You can request a quote for Desoxynigericin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desoxynigericin?
Yes, KEHONG BIO provides custom synthesis services for Desoxynigericin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.