4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin
TL;DR: 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin (CAS 73839-75-5) is a chemical compound with molecular formula C35H36O14 and molecular weight 680.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR,9R)-5-[[(6R,7R,8R)-7,8-dihydroxy-2-(2-hydroxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Podophyllotoxin-salicyliden-glucosid, Podophyllotoxin-salicyliden-glucosid [German], 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin, Podophyllotoxin O-(o-hydroxybenzylidene)-beta-D-glucopyranoside, 4,6-O-(o-Hydroxybenzylidene)-beta-D-glucopyranoside podophyllotoxin
| Molecular Formula | C35H36O14 |
|---|---|
| Molecular Weight | 680.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 170.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 680.2105 |
| Heavy Atoms | 49 |
| Complexity | 1718.1488 |
Chemical Identifiers
| CAS Number | 73839-75-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)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](C7C(O6)COC(O7)C8=CC=CC=C8O)O)O |
Product Overview
4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin (CAS 73839-75-5), with molecular formula C35H36O14 and molecular weight 680.21 g/mol. IUPAC: (5R,5aR,8aR,9R)-5-[[(6R,7R,8R)-7,8-dihydroxy-2-(2-hydroxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin
Property Insights of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin. The TPSA of 170.06 Ų indicates high polarity, suggesting 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin?
The CAS number of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin is 73839-75-5.
What is the molecular formula of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin?
The molecular formula of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin is C35H36O14.
What is the molecular weight of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin?
The molecular weight of 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin is 680.21 g/mol.
Where can I buy 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin?
You can request a quote for 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for 4,6-O-Salicylidene-beta-D-glucopyranoside podophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.