B3-Tunicamycin
TL;DR: B3-Tunicamycin (CAS 76544-50-8) is a chemical compound with molecular formula C38H64N4O16 and molecular weight 832.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradecanamide
Also Known As: B3-Tunicamycin, Tunicamycin B3, N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradecanamide, N-[(2S,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-4,5-dihydroxy-3-oxanyl]-13-methyltetradecanamide
| Molecular Formula | C38H64N4O16 |
|---|---|
| Molecular Weight | 832.43 g/mol |
| LogP | -2.2543 |
| Topological Polar Surface Area | 311.82 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 832.4317 |
| Heavy Atoms | 58 |
| Complexity | 1545.6803 |
Chemical Identifiers
| CAS Number | 76544-50-8 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CC([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O |
Product Overview
B3-Tunicamycin (CAS 76544-50-8), with molecular formula C38H64N4O16 and molecular weight 832.43 g/mol. IUPAC: N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradecanamide.
Chemical Property Profile of B3-Tunicamycin
Property Insights of B3-Tunicamycin
The XLogP value of -2.2543 indicates that B3-Tunicamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.82 Ų indicates high polarity, suggesting B3-Tunicamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, B3-Tunicamycin has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of B3-Tunicamycin?
The CAS number of B3-Tunicamycin is 76544-50-8.
What is the molecular formula of B3-Tunicamycin?
The molecular formula of B3-Tunicamycin is C38H64N4O16.
What is the molecular weight of B3-Tunicamycin?
The molecular weight of B3-Tunicamycin is 832.43 g/mol.
Where can I buy B3-Tunicamycin?
You can request a quote for B3-Tunicamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B3-Tunicamycin?
Yes, KEHONG BIO provides custom synthesis services for B3-Tunicamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.