![methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate structure](/static/products/8334/83348-22-5.webp)
methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
TL;DR: methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 83348-22-5) is a chemical compound with molecular formula C26H30O14 and molecular weight 566.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: METHYL (1R,4AR,5R,7AR)-7-({[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY}METHYL)-5-HYDROXY-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-1H,4AH,5H,7AH-CYCLOPENTA[C]PYRAN-4-CARBOXYLATE
| Molecular Formula | C26H30O14 |
|---|---|
| Molecular Weight | 566.16 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.1636 |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 83348-22-5 |
|---|---|
| SMILES | COC(=O)C1=CO[C@@H]([C@@H]2[C@H]1[C@@H](C=C2COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | LLNDGETZUXLFQJ-HQCPGWPKSA-N |
Product Overview
methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 83348-22-5), with molecular formula C26H30O14 and molecular weight 566.16 g/mol. IUPAC: methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Property Insights of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
The XLogP value of -1.5 indicates that methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate has 7 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 methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate?
The CAS number of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is 83348-22-5.
What is the molecular formula of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate?
The molecular formula of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is C26H30O14.
What is the molecular weight of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate?
The molecular weight of methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is 566.16 g/mol.
Where can I buy methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate?
You can request a quote for methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.