Peptidoglycan pentapeptide-mDap3
TL;DR: Peptidoglycan pentapeptide-mDap3 (CAS 73715-37-4) is a chemical compound with molecular formula C40H67N9O21 and molecular weight 1009.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
Also Known As: Peptidoglycan Pentapeptide-mdap3, Peptidoglycan monomer, Peptidoglycan monomer-mDap3, N-Acetylglucosaminyl-N-acmu-ala-iso-gln-meso-diaminopimelic acid-ala-ala, (2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
| Molecular Formula | C40H67N9O21 |
|---|---|
| Molecular Weight | 1009.45 g/mol |
| LogP | -8.2808 |
| Topological Polar Surface Area | 485.48 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Exact Mass | 1009.4451 |
| Heavy Atoms | 70 |
| Complexity | 1864.3013 |
Chemical Identifiers
| CAS Number | 73715-37-4 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CCC[C@@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C |
Product Overview
Peptidoglycan pentapeptide-mDap3 (CAS 73715-37-4), with molecular formula C40H67N9O21 and molecular weight 1009.45 g/mol. IUPAC: (2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid.
Chemical Property Profile of Peptidoglycan pentapeptide-mDap3
Property Insights of Peptidoglycan pentapeptide-mDap3
The XLogP value of -8.2808 indicates that Peptidoglycan pentapeptide-mDap3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 485.48 Ų indicates high polarity, suggesting Peptidoglycan pentapeptide-mDap3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peptidoglycan pentapeptide-mDap3 has 16 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peptidoglycan pentapeptide-mDap3?
The CAS number of Peptidoglycan pentapeptide-mDap3 is 73715-37-4.
What is the molecular formula of Peptidoglycan pentapeptide-mDap3?
The molecular formula of Peptidoglycan pentapeptide-mDap3 is C40H67N9O21.
What is the molecular weight of Peptidoglycan pentapeptide-mDap3?
The molecular weight of Peptidoglycan pentapeptide-mDap3 is 1009.45 g/mol.
Where can I buy Peptidoglycan pentapeptide-mDap3?
You can request a quote for Peptidoglycan pentapeptide-mDap3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peptidoglycan pentapeptide-mDap3?
Yes, KEHONG BIO provides custom synthesis services for Peptidoglycan pentapeptide-mDap3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.