[(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE
TL;DR: [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE (CAS 27409-30-9) is a chemical compound with molecular formula C24H28O11 and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 3-phenylprop-2-enoate
Also Known As: [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE
| Molecular Formula | C24H28O11 |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | -1.326 |
| Topological Polar Surface Area | 167.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.16315 |
| Heavy Atoms | 35 |
| Complexity | 967.47687 |
Chemical Identifiers
| CAS Number | 27409-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O |
Product Overview
[(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE (CAS 27409-30-9), with molecular formula C24H28O11 and molecular weight 492.16 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 3-phenylprop-2-enoate.
Chemical Property Profile of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE
Property Insights of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE
The XLogP value of -1.326 indicates that [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.67 Ų indicates high polarity, suggesting [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE 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 [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE?
The CAS number of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE is 27409-30-9.
What is the molecular formula of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE?
The molecular formula of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE is C24H28O11.
What is the molecular weight of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE?
The molecular weight of [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE is 492.16 g/mol.
Where can I buy [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE?
You can request a quote for [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE?
Yes, KEHONG BIO provides custom synthesis services for [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.