N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE
TL;DR: N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE (CAS 71012-19-6) is a chemical compound with molecular formula C62H114N2O23 and molecular weight 1254.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
Also Known As: N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE, N-[1-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
| Molecular Formula | C62H114N2O23 |
|---|---|
| Molecular Weight | 1254.78 g/mol |
| LogP | 1.7838 |
| Topological Polar Surface Area | 395.03 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 45 |
| Exact Mass | 1254.7812 |
| Heavy Atoms | 87 |
| Complexity | 1825.6085 |
Chemical Identifiers
| CAS Number | 71012-19-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC(COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)O |
Product Overview
N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE (CAS 71012-19-6), with molecular formula C62H114N2O23 and molecular weight 1254.78 g/mol. IUPAC: N-[1-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide.
Chemical Property Profile of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE
Property Insights of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE
The XLogP value of 1.7838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE. The TPSA of 395.03 Ų indicates high polarity, suggesting N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE has 15 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE?
The CAS number of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE is 71012-19-6.
What is the molecular formula of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE?
The molecular formula of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE is C62H114N2O23.
What is the molecular weight of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE?
The molecular weight of N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE is 1254.78 g/mol.
Where can I buy N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE?
You can request a quote for N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE?
Yes, KEHONG BIO provides custom synthesis services for N-[(4E)-1-{[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYOCTADEC-4-EN-2-YL]OCTADECANAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.