澳洲茄碱
TL;DR: 澳洲茄碱 (CAS 19121-58-5) is a chemical compound with molecular formula C45H73NO16 and molecular weight 883.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
澳洲茄碱
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Solasonine, Solasonin, alpha-Solasonine, Tomatine solaradixine, solanine-S
| Molecular Formula | C45H73NO16 |
|---|---|
| Molecular Weight | 883.49 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 883.4929 |
| Heavy Atoms | 62 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 19121-58-5 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1 |
| InChIKey | QCTMYNGDIBTNSK-LFRCBARCSA-N |
Product Overview
澳洲茄碱 (CAS 19121-58-5), with molecular formula C45H73NO16 and molecular weight 883.49 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 澳洲茄碱
Property Insights of 澳洲茄碱
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 澳洲茄碱. The TPSA of 259.0 Ų indicates high polarity, suggesting 澳洲茄碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 澳洲茄碱 has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 澳洲茄碱?
The CAS number of 澳洲茄碱 is 19121-58-5.
What is the molecular formula of 澳洲茄碱?
The molecular formula of 澳洲茄碱 is C45H73NO16.
What is the molecular weight of 澳洲茄碱?
The molecular weight of 澳洲茄碱 is 883.49 g/mol.
Where can I buy 澳洲茄碱?
You can request a quote for 澳洲茄碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 澳洲茄碱?
Yes, KEHONG BIO provides custom synthesis services for 澳洲茄碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.