Coumpound 514
TL;DR: Coumpound 514 (CAS 103530-99-0) is a chemical compound with molecular formula C110H207N2O23P and molecular weight 1955.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
Also Known As: Coumpound 514, Maclura pomifera lectin, Monophosphoryl lipid A, Heptaacyl monophosphoryl lipid A, [(3S)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
| Molecular Formula | C110H207N2O23P |
|---|---|
| Molecular Weight | 1955.48 g/mol |
| LogP | 34.8 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 102 |
| Exact Mass | 1955.4828 |
| Heavy Atoms | 136 |
| Complexity | 2890.0 |
Chemical Identifiers
| CAS Number | 103530-99-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@H](CCCCCCCCCCC)O |
| InChIKey | AJTUNRJTNFESSC-DPBDWXOKSA-N |
Product Overview
Coumpound 514 (CAS 103530-99-0), with molecular formula C110H207N2O23P and molecular weight 1955.48 g/mol. IUPAC: [(3S)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate.
Chemical Property Profile of Coumpound 514
Property Insights of Coumpound 514
The XLogP value of 34.8 indicates that Coumpound 514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 365.0 Ų indicates high polarity, suggesting Coumpound 514 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coumpound 514 has 8 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 Coumpound 514?
The CAS number of Coumpound 514 is 103530-99-0.
What is the molecular formula of Coumpound 514?
The molecular formula of Coumpound 514 is C110H207N2O23P.
What is the molecular weight of Coumpound 514?
The molecular weight of Coumpound 514 is 1955.48 g/mol.
Where can I buy Coumpound 514?
You can request a quote for Coumpound 514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumpound 514?
Yes, KEHONG BIO provides custom synthesis services for Coumpound 514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.