Tallysomycin A
TL;DR: Tallysomycin A (CAS 65057-90-1) 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.
[2-[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-(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: Tallysomycin A, Talisomycin, Talisomycinum, Talisomycina, Talisomycine
| 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 | 65057-90-1 |
|---|---|
| SMILES | CC1C(C(C(C(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)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(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-UHFFFAOYSA-N |
Product Overview
Tallysomycin A (CAS 65057-90-1), with molecular formula C68H110N22O27S2 and molecular weight 1730.74 g/mol. IUPAC: [2-[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-(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 Tallysomycin A
Property Insights of Tallysomycin A
The XLogP value of -13.3 indicates that Tallysomycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 882.0 Ų indicates high polarity, suggesting Tallysomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tallysomycin A 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 Tallysomycin A?
The CAS number of Tallysomycin A is 65057-90-1.
What is the molecular formula of Tallysomycin A?
The molecular formula of Tallysomycin A is C68H110N22O27S2.
What is the molecular weight of Tallysomycin A?
The molecular weight of Tallysomycin A is 1730.74 g/mol.
Where can I buy Tallysomycin A?
You can request a quote for Tallysomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tallysomycin A?
Yes, KEHONG BIO provides custom synthesis services for Tallysomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.