Isororidin A
TL;DR: Isororidin A (CAS 84773-08-0) is a chemical compound with molecular formula C29H40O9 and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,8R,12S,13R,17R,18E,20E,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione
Also Known As: Isororidin A, Roridin A, ISORORIDIN-A, ISORORIDIN A-, Verrucarin A, 7'-deoxo-7'-((1S)-1-hydroxyethyl)-, (7'R)-
| Molecular Formula | C29H40O9 |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | 2.3934 |
| Topological Polar Surface Area | 124.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 532.2672 |
| Heavy Atoms | 38 |
| Complexity | 1027.0662 |
Chemical Identifiers
| CAS Number | 84773-08-0 |
|---|---|
| SMILES | C[C@@H]1CCO[C@H](/C=C/C=C/C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@H](C)O |
Product Overview
Isororidin A (CAS 84773-08-0), with molecular formula C29H40O9 and molecular weight 532.27 g/mol. IUPAC: (1R,3R,8R,12S,13R,17R,18E,20E,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione.
Chemical Property Profile of Isororidin A
Property Insights of Isororidin A
The XLogP value of 2.3934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isororidin A. The TPSA of 124.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Isororidin A. Following Lipinski's Rule of Five, Isororidin A has 2 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 Isororidin A?
The CAS number of Isororidin A is 84773-08-0.
What is the molecular formula of Isororidin A?
The molecular formula of Isororidin A is C29H40O9.
What is the molecular weight of Isororidin A?
The molecular weight of Isororidin A is 532.27 g/mol.
Where can I buy Isororidin A?
You can request a quote for Isororidin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isororidin A?
Yes, KEHONG BIO provides custom synthesis services for Isororidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.