6-O-(2-Tetradecyl-hexadecanoyl)-MDP
TL;DR: 6-O-(2-Tetradecyl-hexadecanoyl)-MDP (CAS 112008-40-9) is a chemical compound with molecular formula C47H88N4O11 and molecular weight 884.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
Also Known As: MDP-B 30, 6-O-(2-Tetradecyl-hexadecanoyl)-MDP, D-alpha-Glutamine, N2-(N-(6-O-(1-oxo-2-tetradecylhexadecyl)muramoyl)-L-alanyl)-, (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
| Molecular Formula | C47H88N4O11 |
|---|---|
| Molecular Weight | 884.64 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 40 |
| Exact Mass | 884.64496 |
| Heavy Atoms | 62 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 112008-40-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O)O |
| InChIKey | MBNOEFUCTHNMGL-NZMICGEJSA-N |
Product Overview
6-O-(2-Tetradecyl-hexadecanoyl)-MDP (CAS 112008-40-9), with molecular formula C47H88N4O11 and molecular weight 884.64 g/mol. IUPAC: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP
Property Insights of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP
The XLogP value of 8.5 indicates that 6-O-(2-Tetradecyl-hexadecanoyl)-MDP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 250.0 Ų indicates high polarity, suggesting 6-O-(2-Tetradecyl-hexadecanoyl)-MDP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-(2-Tetradecyl-hexadecanoyl)-MDP has 7 hydrogen bond donor(s) and 12 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-(2-Tetradecyl-hexadecanoyl)-MDP?
The CAS number of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP is 112008-40-9.
What is the molecular formula of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP?
The molecular formula of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP is C47H88N4O11.
What is the molecular weight of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP?
The molecular weight of 6-O-(2-Tetradecyl-hexadecanoyl)-MDP is 884.64 g/mol.
Where can I buy 6-O-(2-Tetradecyl-hexadecanoyl)-MDP?
You can request a quote for 6-O-(2-Tetradecyl-hexadecanoyl)-MDP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-(2-Tetradecyl-hexadecanoyl)-MDP?
Yes, KEHONG BIO provides custom synthesis services for 6-O-(2-Tetradecyl-hexadecanoyl)-MDP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.