lipid A
TL;DR: lipid A (CAS 95991-05-2) is a chemical compound with molecular formula C94H178N2O25P2 and molecular weight 1797.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxymethyl]-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxyoxan-4-yl] 3-hydroxytetradecanoate
Also Known As: lipid A, Lipid A, diphosphoryl from Escherichia coli F583 (Rd mutant), [2-[[3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxymethyl]-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxyoxan-4-yl] 3-hydroxytetradecanoate, Lipid A, diphosphoryl from Salmonella enterica serotype minnesota Re 595 (Re mutant), {5-[3-(DODECANOYLOXY)TETRADECANAMIDO]-6-{[3-HYDROXY-5-(3-HYDROXYTETRADECANAMIDO)-4-[(3-HYDROXYTETRADECANOYL)OXY]-6-(PHOSPHONOOXY)OXAN-2-YL]METHOXY}-2-(HYDROXYMETHYL)-4-{[3-(TETRADECANOYLOXY)TETRADECANOYL]OXY}OXAN-3-YL}OXYPHOSPHONIC ACID
| Molecular Formula | C94H178N2O25P2 |
|---|---|
| Molecular Weight | 1797.22 g/mol |
| LogP | 20.5978 |
| Topological Polar Surface Area | 405.53 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 84 |
| Exact Mass | 1797.2194 |
| Heavy Atoms | 123 |
| Complexity | 2713.234 |
Chemical Identifiers
| CAS Number | 95991-05-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)OCC2C(C(C(C(O2)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
Product Overview
lipid A (CAS 95991-05-2), with molecular formula C94H178N2O25P2 and molecular weight 1797.22 g/mol. IUPAC: [2-[[3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxymethyl]-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxyoxan-4-yl] 3-hydroxytetradecanoate.
Chemical Property Profile of lipid A
Property Insights of lipid A
The XLogP value of 20.5978 indicates that lipid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 405.53 Ų indicates high polarity, suggesting lipid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, lipid A has 10 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of lipid A?
The CAS number of lipid A is 95991-05-2.
What is the molecular formula of lipid A?
The molecular formula of lipid A is C94H178N2O25P2.
What is the molecular weight of lipid A?
The molecular weight of lipid A is 1797.22 g/mol.
Where can I buy lipid A?
You can request a quote for lipid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for lipid A?
Yes, KEHONG BIO provides custom synthesis services for lipid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.