4'-Demthylpodophyllotoxin beta-D-glucoside
TL;DR: 4'-Demthylpodophyllotoxin beta-D-glucoside (CAS 5340-30-7) is a chemical compound with molecular formula C27H30O13 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Lignan P, KST-1A5462, 4'-Demthylpodophyllotoxin beta-D-glucoside, (5r,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl, A-d-glucopyranoside
| Molecular Formula | C27H30O13 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.16864 |
| Heavy Atoms | 40 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 5340-30-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | FOVRGQUEGRCWPD-CZIVDZDDSA-N |
Product Overview
4'-Demthylpodophyllotoxin beta-D-glucoside (CAS 5340-30-7), with molecular formula C27H30O13 and molecular weight 562.17 g/mol. IUPAC: (5R,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 4'-Demthylpodophyllotoxin beta-D-glucoside
Property Insights of 4'-Demthylpodophyllotoxin beta-D-glucoside
The XLogP value of -0.2 indicates that 4'-Demthylpodophyllotoxin beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 4'-Demthylpodophyllotoxin beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Demthylpodophyllotoxin beta-D-glucoside has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Demthylpodophyllotoxin beta-D-glucoside?
The CAS number of 4'-Demthylpodophyllotoxin beta-D-glucoside is 5340-30-7.
What is the molecular formula of 4'-Demthylpodophyllotoxin beta-D-glucoside?
The molecular formula of 4'-Demthylpodophyllotoxin beta-D-glucoside is C27H30O13.
What is the molecular weight of 4'-Demthylpodophyllotoxin beta-D-glucoside?
The molecular weight of 4'-Demthylpodophyllotoxin beta-D-glucoside is 562.17 g/mol.
Where can I buy 4'-Demthylpodophyllotoxin beta-D-glucoside?
You can request a quote for 4'-Demthylpodophyllotoxin beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Demthylpodophyllotoxin beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for 4'-Demthylpodophyllotoxin beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.