6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A
TL;DR: 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A (CAS 144710-90-7) is a chemical compound with molecular formula C100H188N3O23P and molecular weight 1830.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-(6-aminohexanoyloxymethyl)-3-(14-dodecanoyloxytetradecanoylamino)-5-phosphonooxy-4-(14-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-2-(3-hydroxytetradecanoylamino)-1-oxohexan-3-yl] 3-hydroxytetradecanoate
Also Known As: Cap-mla, 6'-O-(6-Aminocaproyl)-4'-O-monophosphoryl lipid A, 6/'-O-(6-aminocaproyl)-4/'-O-monophosphoryl lipid A, [6-[6-(6-aminohexanoyloxymethyl)-3-(14-dodecanoyloxytetradecanoylamino)-5-phosphonooxy-4-(14-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-2-(3-hydroxytetradecanoylamino)-1-oxohexan-3-yl] 3-hydroxytetradecanoate, D-Glucose, 6-O-(6-O-(6-amino-1-oxohexyl)-2-deoxy-2-((1-oxo-14-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-(1-oxo-14-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 3-(3-hydroxytetradecanoate)
| Molecular Formula | C100H188N3O23P |
|---|---|
| Molecular Weight | 1830.34 g/mol |
| LogP | 21.3966 |
| Topological Polar Surface Area | 398.93 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 94 |
| Exact Mass | 1830.3372 |
| Heavy Atoms | 127 |
| Complexity | 2680.3044 |
Chemical Identifiers
| CAS Number | 144710-90-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC(=O)CCCCCN)OCC(C(C(C(C=O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)O)NC(=O)CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC |
Product Overview
6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A (CAS 144710-90-7), with molecular formula C100H188N3O23P and molecular weight 1830.34 g/mol. IUPAC: [6-[6-(6-aminohexanoyloxymethyl)-3-(14-dodecanoyloxytetradecanoylamino)-5-phosphonooxy-4-(14-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-2-(3-hydroxytetradecanoylamino)-1-oxohexan-3-yl] 3-hydroxytetradecanoate.
Chemical Property Profile of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A
Property Insights of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A
The XLogP value of 21.3966 indicates that 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 398.93 Ų indicates high polarity, suggesting 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A?
The CAS number of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A is 144710-90-7.
What is the molecular formula of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A?
The molecular formula of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A is C100H188N3O23P.
What is the molecular weight of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A?
The molecular weight of 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A is 1830.34 g/mol.
Where can I buy 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A?
You can request a quote for 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A?
Yes, KEHONG BIO provides custom synthesis services for 6'-O-(6-aminocaproyl)-4'-O-monophosphoryl lipid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.