(E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
TL;DR: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid (CAS 145401-47-4) is a chemical compound with molecular formula C21H39NO7 and molecular weight 417.27264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Also Known As: Sphingofungin E, (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid, 2-Amino-3,4,5-trihydroxy-2-hydroxymethyl-14-oxo-6-icosenoic acid, 2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid, 6-Eicosenoic acid, 2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxo-
Technical Specifications
| Molecular Formula | C21H39NO7 |
| Molecular Weight | 417.27264 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 417.27264 Da |
| Heavy Atoms | 29 |
| Complexity | 497.0 |
| SMILES | CCCCCCC(=O)CCCCCC/C=C/C(C(C(C(CO)(C(=O)O)N)O)O)O |
| InChIKey | UKUPHONHODZPDA-SDNWHVSQSA-N |
Chemical Property Profile of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Property Insights of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
The XLogP value of -1.3 indicates that (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid?
The CAS number of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid is 145401-47-4.
What is the molecular formula of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid?
The molecular formula of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid is C21H39NO7.
What is the molecular weight of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid?
The molecular weight of (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid is 417.27264 g/mol.
Where can I buy (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid?
You can request a quote for (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.