6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺
TL;DR: 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 (CAS 62150-45-2) is a chemical compound with molecular formula C37H66N4O12 and molecular weight 758.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺
(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(octadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid
Also Known As: 6-Smdp, L18-Mdp(ala), 6-O-Stearoyl-muramyl dipeptide, 6-O-Stearoyl-N-acmu-ala-iso-gln, L18-MDP
| Molecular Formula | C37H66N4O12 |
|---|---|
| Molecular Weight | 758.47 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Exact Mass | 758.4677 |
| Heavy Atoms | 53 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 62150-45-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O)O |
| InChIKey | YGIZBPAKZVZJTK-DPBOHRDYSA-N |
Product Overview
6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 (CAS 62150-45-2), with molecular formula C37H66N4O12 and molecular weight 758.47 g/mol. IUPAC: (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(octadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid.
Chemical Property Profile of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺
Property Insights of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺
The XLogP value of 4.7 indicates that 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 253.0 Ų indicates high polarity, suggesting 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 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-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺?
The CAS number of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 is 62150-45-2.
What is the molecular formula of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺?
The molecular formula of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 is C37H66N4O12.
What is the molecular weight of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺?
The molecular weight of 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 is 758.47 g/mol.
Where can I buy 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺?
You can request a quote for 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺?
Yes, KEHONG BIO provides custom synthesis services for 6-O-硬脂酰-N-乙酰胞壁酰-丙氨酰-异谷氨酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.