Kdo2-Lipid A (sodium salt)
TL;DR: Kdo2-Lipid A (sodium salt) (CAS 6917-66-4) is a chemical compound with molecular formula C110H202N2O39P2 and molecular weight 2237.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid
Also Known As: Kdo2-Lipid A (sodium salt), 2-[2-carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid, 3-Deoxyoct-2-ulopyranonosyl-(2->4)-3-deoxyoct-2-ulopyranonosyl-(2->6)-2-deoxy-2-[3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl-(1->6)-2-deoxy-2-(3-hydroxytetradecanamido)-3-O-(3-hydroxytetradecanoyl)-1-O-phosphonohexopyranose
| Molecular Formula | C110H202N2O39P2 |
|---|---|
| Molecular Weight | 2237.34 g/mol |
| LogP | 15.936 |
| Topological Polar Surface Area | 638.43 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 94 |
| Exact Mass | 2237.336 |
| Heavy Atoms | 153 |
| Complexity | 3763.0107 |
Chemical Identifiers
| CAS Number | 6917-66-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(C(C(O3)C(CO)O)O)O)C(=O)O)C(=O)O)OCC4C(C(C(C(O4)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
Product Overview
Kdo2-Lipid A (sodium salt) (CAS 6917-66-4), with molecular formula C110H202N2O39P2 and molecular weight 2237.34 g/mol. IUPAC: 2-[2-carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Kdo2-Lipid A (sodium salt)
Property Insights of Kdo2-Lipid A (sodium salt)
The XLogP value of 15.936 indicates that Kdo2-Lipid A (sodium salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 638.43 Ų indicates high polarity, suggesting Kdo2-Lipid A (sodium salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kdo2-Lipid A (sodium salt) has 18 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kdo2-Lipid A (sodium salt)?
The CAS number of Kdo2-Lipid A (sodium salt) is 6917-66-4.
What is the molecular formula of Kdo2-Lipid A (sodium salt)?
The molecular formula of Kdo2-Lipid A (sodium salt) is C110H202N2O39P2.
What is the molecular weight of Kdo2-Lipid A (sodium salt)?
The molecular weight of Kdo2-Lipid A (sodium salt) is 2237.34 g/mol.
Where can I buy Kdo2-Lipid A (sodium salt)?
You can request a quote for Kdo2-Lipid A (sodium salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kdo2-Lipid A (sodium salt)?
Yes, KEHONG BIO provides custom synthesis services for Kdo2-Lipid A (sodium salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.