Solaradixine
TL;DR: Solaradixine (CAS 28512-69-8) is a chemical compound with molecular formula C51H83NO21 and molecular weight 1045.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,9S,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]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Solaradixine, beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-, 4(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-propyl-
| Molecular Formula | C51H83NO21 |
|---|---|
| Molecular Weight | 1045.55 g/mol |
| LogP | -2.3887 |
| Topological Polar Surface Area | 337.86 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1045.5458 |
| Heavy Atoms | 73 |
| Complexity | 1929.0299 |
Chemical Identifiers
| CAS Number | 28512-69-8 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CC=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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)NC1 |
Product Overview
Solaradixine (CAS 28512-69-8), with molecular formula C51H83NO21 and molecular weight 1045.55 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,9S,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]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Solaradixine
Property Insights of Solaradixine
The XLogP value of -2.3887 indicates that Solaradixine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.86 Ų indicates high polarity, suggesting Solaradixine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solaradixine has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Solaradixine?
The CAS number of Solaradixine is 28512-69-8.
What is the molecular formula of Solaradixine?
The molecular formula of Solaradixine is C51H83NO21.
What is the molecular weight of Solaradixine?
The molecular weight of Solaradixine is 1045.55 g/mol.
Where can I buy Solaradixine?
You can request a quote for Solaradixine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solaradixine?
Yes, KEHONG BIO provides custom synthesis services for Solaradixine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.