3-Rxgsd
TL;DR: 3-Rxgsd (CAS 139979-76-3) is a chemical compound with molecular formula C56H92O27 and molecular weight 1196.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-[(4S,5'R,7S,8R,9S,13S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxane-3,4,5-triol
Also Known As: 3-Rxgsd, 3-O-((Rhamnopyranosyl-(1-3)-xylopyranosyl-(1-2)-)(glucopyranosyl-(1-3))-glucopyranosyl-(1-3)-glucopyranosyl)spirostan-2,3-diol, beta-D-Glucopyranoside, (2alpha,3beta,5alpha,25R)-2-hydroxyspirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3)-, (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-[(4S,5'R,7S,8R,9S,13S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxane-3,4,5-triol, 3-O-((Rhamnopyranosyl-(1-3)-xylopyranosyl-(1-2)-)(glucopyranosyl-(1-3) )-glucopyranosyl-(1-3)-glucop
| Molecular Formula | C56H92O27 |
|---|---|
| Molecular Weight | 1196.58 g/mol |
| LogP | -4.8542 |
| Topological Polar Surface Area | 425.21 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 12 |
| Exact Mass | 1196.5826 |
| Heavy Atoms | 83 |
| Complexity | 2195.5327 |
Chemical Identifiers
| CAS Number | 139979-76-3 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CC(C(C6)[C@]7([C@@H]([C@H]([C@@H]([C@@H](O7)CO)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)C)C)OC1 |
Product Overview
3-Rxgsd (CAS 139979-76-3), with molecular formula C56H92O27 and molecular weight 1196.58 g/mol. IUPAC: (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-[(4S,5'R,7S,8R,9S,13S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxane-3,4,5-triol.
Chemical Property Profile of 3-Rxgsd
Property Insights of 3-Rxgsd
The XLogP value of -4.8542 indicates that 3-Rxgsd is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 425.21 Ų indicates high polarity, suggesting 3-Rxgsd may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Rxgsd has 16 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Rxgsd?
The CAS number of 3-Rxgsd is 139979-76-3.
What is the molecular formula of 3-Rxgsd?
The molecular formula of 3-Rxgsd is C56H92O27.
What is the molecular weight of 3-Rxgsd?
The molecular weight of 3-Rxgsd is 1196.58 g/mol.
Where can I buy 3-Rxgsd?
You can request a quote for 3-Rxgsd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Rxgsd?
Yes, KEHONG BIO provides custom synthesis services for 3-Rxgsd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.