![[(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate structure](/static/products/7251/72514-90-0.webp)
[(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate
TL;DR: [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate (CAS 72514-90-0) is a chemical compound with molecular formula C24H28O12 and molecular weight 508.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: (1S,2S,4S,5S,6R)-2-(HYDROXYMETHYL)-10-{[(3R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-5-YL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE
| Molecular Formula | C24H28O12 |
|---|---|
| Molecular Weight | 508.16 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.15808 |
| Heavy Atoms | 36 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 72514-90-0 |
|---|---|
| SMILES | C1=COC([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)OC5[C@@H](C([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | SKNVKBJSSSJNCI-NOFOSVODSA-N |
Product Overview
[(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate (CAS 72514-90-0), with molecular formula C24H28O12 and molecular weight 508.16 g/mol. IUPAC: [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate
Property Insights of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate
The XLogP value of -0.9 indicates that [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate?
The CAS number of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate is 72514-90-0.
What is the molecular formula of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate?
The molecular formula of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate is C24H28O12.
What is the molecular weight of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate?
The molecular weight of [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate is 508.16 g/mol.
Where can I buy [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate?
You can request a quote for [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [(1S,2S,4S,5S,6R)-2-(hydroxymethyl)-10-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(4-hydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.