Isopauridianthoside
TL;DR: Isopauridianthoside (CAS 88644-38-6) is a chemical compound with molecular formula C27H28N2O10 and molecular weight 540.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Also Known As: Isopauridianthoside, methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate, Methyl (2R,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-3,4-dihydro-2H-pyran-5-carboxylate, methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido(3,4-b)indole-1-carbonyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,4-dihydro-2H-pyran-5-carboxylate, RefChem:149691
| Molecular Formula | C27H28N2O10 |
|---|---|
| Molecular Weight | 540.17 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.1744 |
| Heavy Atoms | 39 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 88644-38-6 |
|---|---|
| SMILES | COC(=O)C1=CO[C@@H]([C@@H]([C@@H]1C(=O)C2=NC=CC3=C2NC4=CC=CC=C34)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | AJDXZVKKPZRUNN-XVTOEGNZSA-N |
Product Overview
Isopauridianthoside (CAS 88644-38-6), with molecular formula C27H28N2O10 and molecular weight 540.17 g/mol. IUPAC: methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate.
Chemical Property Profile of Isopauridianthoside
Property Insights of Isopauridianthoside
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopauridianthoside. The TPSA of 181.0 Ų indicates high polarity, suggesting Isopauridianthoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isopauridianthoside has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopauridianthoside?
The CAS number of Isopauridianthoside is 88644-38-6.
What is the molecular formula of Isopauridianthoside?
The molecular formula of Isopauridianthoside is C27H28N2O10.
What is the molecular weight of Isopauridianthoside?
The molecular weight of Isopauridianthoside is 540.17 g/mol.
Where can I buy Isopauridianthoside?
You can request a quote for Isopauridianthoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopauridianthoside?
Yes, KEHONG BIO provides custom synthesis services for Isopauridianthoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.