Islandic acid
TL;DR: Islandic acid (CAS 81827-56-7) is a chemical compound with molecular formula C17H18O8 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid
Also Known As: Islandic acid, Islandic acid I, (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid, 2,4-Hexadienoic acid, N,N'-(1-((4-((bromoacetyl)amino)phenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)-, (Z,E,E)-, (2E)-3-(3-{[(2Z,4E)-hexa-2,4-dienoyloxy]methyl}-5-(hydroxymethyl)-4-methoxy-2-oxo-2H-pyran-6-yl)prop-2-enoic acid
| Molecular Formula | C17H18O8 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 1.414 |
| Topological Polar Surface Area | 123.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.10016 |
| Heavy Atoms | 25 |
| Complexity | 767.5879 |
Chemical Identifiers
| CAS Number | 81827-56-7 |
|---|---|
| SMILES | C/C=C/C=C\C(=O)OCC1=C(C(=C(OC1=O)/C=C/C(=O)O)CO)OC |
Product Overview
Islandic acid (CAS 81827-56-7), with molecular formula C17H18O8 and molecular weight 350.10 g/mol. IUPAC: (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid.
Chemical Property Profile of Islandic acid
Property Insights of Islandic acid
The XLogP value of 1.414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Islandic acid. The TPSA of 123.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Islandic acid. Following Lipinski's Rule of Five, Islandic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Islandic acid?
The CAS number of Islandic acid is 81827-56-7.
What is the molecular formula of Islandic acid?
The molecular formula of Islandic acid is C17H18O8.
What is the molecular weight of Islandic acid?
The molecular weight of Islandic acid is 350.10 g/mol.
Where can I buy Islandic acid?
You can request a quote for Islandic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Islandic acid?
Yes, KEHONG BIO provides custom synthesis services for Islandic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.