UDP-N-Acetylmuramoyl-L-alanine
TL;DR: UDP-N-Acetylmuramoyl-L-alanine (CAS 78738-65-5) is a chemical compound with molecular formula C23H36N4O20P2 and molecular weight 750.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
Also Known As: UDP-N-acetylmuramoyl-L-alanine, (2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid, uridine 5'-(3-{2-acetylamino-3-O-[2-(L-alaninocarboxy)ethyl]-2-deoxy-D-glucopyranosyl}dihydrogen diphosphate), (2R)-2-(((2S)-2-(((2R,3R,4R,5S,6R)-2-(((((((2S,3R,4R,5S)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-5-hydroxy-3-((1-hydroxyethylidene)amino)-6-(hydroxymethyl)oxan-4-yl)oxy)-1-hydroxypropylidene)amino)propanoate, (2R)-2-{[(2S)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2S,3R,4R,5S)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-1-hydroxypropylidene]amino}propanoate
| Molecular Formula | C23H36N4O20P2 |
|---|---|
| Molecular Weight | 750.14 g/mol |
| LogP | -4.6478 |
| Topological Polar Surface Area | 361.26 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 750.13983 |
| Heavy Atoms | 49 |
| Complexity | 1571.0176 |
Chemical Identifiers
| CAS Number | 78738-65-5 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O |
Product Overview
UDP-N-Acetylmuramoyl-L-alanine (CAS 78738-65-5), with molecular formula C23H36N4O20P2 and molecular weight 750.14 g/mol. IUPAC: (2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid.
Chemical Property Profile of UDP-N-Acetylmuramoyl-L-alanine
Property Insights of UDP-N-Acetylmuramoyl-L-alanine
The XLogP value of -4.6478 indicates that UDP-N-Acetylmuramoyl-L-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 361.26 Ų indicates high polarity, suggesting UDP-N-Acetylmuramoyl-L-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UDP-N-Acetylmuramoyl-L-alanine has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UDP-N-Acetylmuramoyl-L-alanine?
The CAS number of UDP-N-Acetylmuramoyl-L-alanine is 78738-65-5.
What is the molecular formula of UDP-N-Acetylmuramoyl-L-alanine?
The molecular formula of UDP-N-Acetylmuramoyl-L-alanine is C23H36N4O20P2.
What is the molecular weight of UDP-N-Acetylmuramoyl-L-alanine?
The molecular weight of UDP-N-Acetylmuramoyl-L-alanine is 750.14 g/mol.
Where can I buy UDP-N-Acetylmuramoyl-L-alanine?
You can request a quote for UDP-N-Acetylmuramoyl-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UDP-N-Acetylmuramoyl-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for UDP-N-Acetylmuramoyl-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.