Iturin D
TL;DR: Iturin D (CAS 108956-22-5) is a chemical compound with molecular formula C48H74N12O14 and molecular weight 1042.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Also Known As: Iturin D, Iturin-D, Iturin A2, Iturin A 2 8, Iturin A-2
| Molecular Formula | C48H74N12O14 |
|---|---|
| Molecular Weight | 1042.54 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 437.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 1042.5448 |
| Heavy Atoms | 74 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 108956-22-5 |
|---|---|
| SMILES | CCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
| InChIKey | HNAPWDKFUSLFFE-UHFFFAOYSA-N |
Product Overview
Iturin D (CAS 108956-22-5), with molecular formula C48H74N12O14 and molecular weight 1042.54 g/mol. IUPAC: 3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide.
Chemical Property Profile of Iturin D
Property Insights of Iturin D
The XLogP value of -1.6 indicates that Iturin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 437.0 Ų indicates high polarity, suggesting Iturin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iturin D has 13 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 Iturin D?
The CAS number of Iturin D is 108956-22-5.
What is the molecular formula of Iturin D?
The molecular formula of Iturin D is C48H74N12O14.
What is the molecular weight of Iturin D?
The molecular weight of Iturin D is 1042.54 g/mol.
Where can I buy Iturin D?
You can request a quote for Iturin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iturin D?
Yes, KEHONG BIO provides custom synthesis services for Iturin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.