麦角隐酸D
TL;DR: 麦角隐酸D (CAS 35287-69-5) is a chemical compound with molecular formula C32H30O14 and molecular weight 638.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
麦角隐酸D
methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Also Known As: Secalonic acid D, SECALONSAURE D, Secalonic acid D mycotoxin, ERGOCHROME EE, EX-A16378
| Molecular Formula | C32H30O14 |
|---|---|
| Molecular Weight | 638.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 638.1636 |
| Heavy Atoms | 46 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 35287-69-5 |
|---|---|
| SMILES | C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@@H]([C@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@]2([C@@H]1O)C(=O)OC)O |
| InChIKey | NFZJAYYORNVZNI-OCHURCMPSA-N |
Product Overview
麦角隐酸D (CAS 35287-69-5), with molecular formula C32H30O14 and molecular weight 638.16 g/mol. IUPAC: methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate.
Chemical Property Profile of 麦角隐酸D
Property Insights of 麦角隐酸D
The XLogP value of 3.1 indicates that 麦角隐酸D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.0 Ų indicates high polarity, suggesting 麦角隐酸D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 麦角隐酸D has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 麦角隐酸D?
The CAS number of 麦角隐酸D is 35287-69-5.
What is the molecular formula of 麦角隐酸D?
The molecular formula of 麦角隐酸D is C32H30O14.
What is the molecular weight of 麦角隐酸D?
The molecular weight of 麦角隐酸D is 638.16 g/mol.
Where can I buy 麦角隐酸D?
You can request a quote for 麦角隐酸D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 麦角隐酸D?
Yes, KEHONG BIO provides custom synthesis services for 麦角隐酸D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.