3'-O-Decarbamoylirumamycin
TL;DR: 3'-O-Decarbamoylirumamycin (CAS 99486-52-9) is a chemical compound with molecular formula C40H64O11 and molecular weight 720.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
Also Known As: 3'-O-Decarbamoylirumamycin
| Molecular Formula | C40H64O11 |
|---|---|
| Molecular Weight | 720.44 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 720.4449 |
| Heavy Atoms | 51 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 99486-52-9 |
|---|---|
| SMILES | CCC(=O)C1(C(O1)C(C)CC(C)C2C(C(C(C=CC(CCCC=C(C3C(=CCC(O3)(CC(=O)O2)O)C)C)OC4CC(C(C(O4)C)O)O)C)O)C)C |
| InChIKey | AROPDQZOMIITCK-UHFFFAOYSA-N |
Product Overview
3'-O-Decarbamoylirumamycin (CAS 99486-52-9), with molecular formula C40H64O11 and molecular weight 720.44 g/mol. IUPAC: 11-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one.
Chemical Property Profile of 3'-O-Decarbamoylirumamycin
Property Insights of 3'-O-Decarbamoylirumamycin
The XLogP value of 4.1 indicates that 3'-O-Decarbamoylirumamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting 3'-O-Decarbamoylirumamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-Decarbamoylirumamycin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-O-Decarbamoylirumamycin?
The CAS number of 3'-O-Decarbamoylirumamycin is 99486-52-9.
What is the molecular formula of 3'-O-Decarbamoylirumamycin?
The molecular formula of 3'-O-Decarbamoylirumamycin is C40H64O11.
What is the molecular weight of 3'-O-Decarbamoylirumamycin?
The molecular weight of 3'-O-Decarbamoylirumamycin is 720.44 g/mol.
Where can I buy 3'-O-Decarbamoylirumamycin?
You can request a quote for 3'-O-Decarbamoylirumamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Decarbamoylirumamycin?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Decarbamoylirumamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.