Talisomycin
TL;DR: Talisomycin (CAS 67221-50-5) is a chemical compound with molecular formula C68H110N22O27S2 and molecular weight 1730.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(2S,3R,4R,5S,6S)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Also Known As: Talisomycin, Tallysomycin A, Talisomycin A, TALLYSOMYCIN, Antibiotic BU 2231A
| Molecular Formula | C68H110N22O27S2 |
|---|---|
| Molecular Weight | 1730.74 g/mol |
| LogP | -13.3 |
| Topological Polar Surface Area | 882.0 Ų |
| Hydrogen Bond Donors | 28 |
| Hydrogen Bond Acceptors | 41 |
| Rotatable Bonds | 48 |
| Exact Mass | 1730.7352 |
| Heavy Atoms | 119 |
| Complexity | 3240.0 |
Chemical Identifiers
| CAS Number | 67221-50-5 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)O[C@@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N |
| InChIKey | VUPBDWQPEOWRQP-SDSCCWNESA-N |
Product Overview
Talisomycin (CAS 67221-50-5), with molecular formula C68H110N22O27S2 and molecular weight 1730.74 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(2S,3R,4R,5S,6S)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate.
Chemical Property Profile of Talisomycin
Property Insights of Talisomycin
The XLogP value of -13.3 indicates that Talisomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 882.0 Ų indicates high polarity, suggesting Talisomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Talisomycin has 28 hydrogen bond donor(s) and 41 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Talisomycin?
The CAS number of Talisomycin is 67221-50-5.
What is the molecular formula of Talisomycin?
The molecular formula of Talisomycin is C68H110N22O27S2.
What is the molecular weight of Talisomycin?
The molecular weight of Talisomycin is 1730.74 g/mol.
Where can I buy Talisomycin?
You can request a quote for Talisomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Talisomycin?
Yes, KEHONG BIO provides custom synthesis services for Talisomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.