瑞士糖芥苷
TL;DR: 瑞士糖芥苷 (CAS 630-64-8) is a chemical compound with molecular formula C29H42O9 and molecular weight 534.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
瑞士糖芥苷
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Helveticoside, Erysimin, Erysimotoxin, Deglucoerysimoside, Helvetikosid
| Molecular Formula | C29H42O9 |
|---|---|
| Molecular Weight | 534.28 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.2829 |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 630-64-8 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O |
| InChIKey | QBILRDAMJUPXCX-AGAUEGNUSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
瑞士糖芥苷 (CAS 630-64-8), with molecular formula C29H42O9 and molecular weight 534.28 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 瑞士糖芥苷
Property Insights of 瑞士糖芥苷
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 瑞士糖芥苷. The TPSA of 143.0 Ų indicates high polarity, suggesting 瑞士糖芥苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 瑞士糖芥苷 has 4 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 瑞士糖芥苷?
The CAS number of 瑞士糖芥苷 is 630-64-8.
What is the molecular formula of 瑞士糖芥苷?
The molecular formula of 瑞士糖芥苷 is C29H42O9.
What is the molecular weight of 瑞士糖芥苷?
The molecular weight of 瑞士糖芥苷 is 534.28 g/mol.
Where can I buy 瑞士糖芥苷?
You can request a quote for 瑞士糖芥苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 瑞士糖芥苷?
Yes, KEHONG BIO provides custom synthesis services for 瑞士糖芥苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.