Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester
TL;DR: Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester (CAS 94377-88-5) is a chemical compound with molecular formula C40H77NO25 and molecular weight 971.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,3-O-bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-O-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino] 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester, 1-Propanaminium,N,N,N-trimethyl-2,3-bis[(1-oxotetradecyl)oxy], 1-O,3-O-bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-O-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino] 2-hydroxypropane-1,2,3-tricarboxylate, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl) 3-(3,11-dihydroxy-2,6,9-trioxa-3-azaundecan-1-oyl)-3-hydroxypentanedioate, 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,3-bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) 2-[hydroxy[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]azanyl]ester
| Molecular Formula | C40H77NO25 |
|---|---|
| Molecular Weight | 971.48 g/mol |
| LogP | -5.4 |
| Topological Polar Surface Area | 313.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 57 |
| Exact Mass | 971.47845 |
| Heavy Atoms | 66 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 94377-88-5 |
|---|---|
| SMILES | C(COCCOCCO)N(O)OC(=O)C(CC(=O)OCCOCCOCCOCCOCCOCCOCCO)(CC(=O)OCCOCCOCCOCCOCCOCCOCCO)O |
| InChIKey | SLYFAFLWVFFGSO-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester (CAS 94377-88-5), with molecular formula C40H77NO25 and molecular weight 971.48 g/mol. IUPAC: 1-O,3-O-bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-O-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino] 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester
Property Insights of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester
The XLogP value of -5.4 indicates that Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 313.0 Ų indicates high polarity, suggesting Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester has 5 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester?
The CAS number of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester is 94377-88-5.
What is the molecular formula of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester?
The molecular formula of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester is C40H77NO25.
What is the molecular weight of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester?
The molecular weight of Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester is 971.48 g/mol.
Where can I buy Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester?
You can request a quote for Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 3-(3,11-dihydroxy-1-oxo-2,6,9-trioxa-3-azaundec-1-yl)-3-hydroxy-, bis(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.