乌本苷
TL;DR: 乌本苷 (CAS 630-60-4) is a chemical compound with molecular formula C29H44O12 and molecular weight 584.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乌本苷
3-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: ouabain, Strodival, Acocantherin, Purostrophan, Rectobaina
| Molecular Formula | C29H44O12 |
|---|---|
| Molecular Weight | 584.28 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 584.28326 |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 630-60-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O |
| InChIKey | LPMXVESGRSUGHW-UHFFFAOYSA-N |
Product Overview
乌本苷 (CAS 630-60-4), with molecular formula C29H44O12 and molecular weight 584.28 g/mol. IUPAC: 3-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 乌本苷
Property Insights of 乌本苷
The XLogP value of -1.7 indicates that 乌本苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting 乌本苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 欧亚班 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 欧亚班?
The CAS number of 欧亚班 is 630-60-4.
What is the molecular formula of 欧亚班?
The molecular formula of 欧亚班 is C29H44O12.
What is the molecular weight of 欧亚班?
The molecular weight of 欧亚班 is 584.28 g/mol.
Where can I buy 欧亚班?
You can request a quote for 欧亚班 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 欧亚班?
Yes, KEHONG BIO provides custom synthesis services for 欧亚班 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.