Tallysomycin S1a copper complex
TL;DR: Tallysomycin S1a copper complex (CAS 77368-63-9) is a chemical compound with molecular formula C64H101N21O27S2 and molecular weight 1659.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[2-[4-[4-[[4-amino-6-(3-aminopropylamino)-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]-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 S1a copper complex, Tallysomycin S(sub 1a) copper complex, Bleomycinamide, 13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-N(sup 1)-(5-((3-aminopropyl)carbamoyl)-4-aminopentyl)-19-demethyl-12-hydroxy-, copper complex, [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[2-[4-[4-[[4-amino-6-(3-aminopropylamino)-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]-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, [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[2-[4-[4-[[4-amino-6-(3-aminopropylamino)-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]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
| Molecular Formula | C64H101N21O27S2 |
|---|---|
| Molecular Weight | 1659.66 g/mol |
| LogP | -11.62748 |
| Topological Polar Surface Area | 813.38 Ų |
| Hydrogen Bond Donors | 27 |
| Hydrogen Bond Acceptors | 40 |
| Rotatable Bonds | 42 |
| Exact Mass | 1659.6617 |
| Heavy Atoms | 114 |
| Complexity | 3858.5442 |
Chemical Identifiers
| CAS Number | 77368-63-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCN)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 |
Product Overview
Tallysomycin S1a copper complex (CAS 77368-63-9), with molecular formula C64H101N21O27S2 and molecular weight 1659.66 g/mol. IUPAC: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[2-[4-[4-[[4-amino-6-(3-aminopropylamino)-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]-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 S1a copper complex
Property Insights of Tallysomycin S1a copper complex
The XLogP value of -11.62748 indicates that Tallysomycin S1a copper complex is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 813.38 Ų indicates high polarity, suggesting Tallysomycin S1a copper complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tallysomycin S1a copper complex has 27 hydrogen bond donor(s) and 40 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tallysomycin S1a copper complex?
The CAS number of Tallysomycin S1a copper complex is 77368-63-9.
What is the molecular formula of Tallysomycin S1a copper complex?
The molecular formula of Tallysomycin S1a copper complex is C64H101N21O27S2.
What is the molecular weight of Tallysomycin S1a copper complex?
The molecular weight of Tallysomycin S1a copper complex is 1659.66 g/mol.
Where can I buy Tallysomycin S1a copper complex?
You can request a quote for Tallysomycin S1a copper complex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tallysomycin S1a copper complex?
Yes, KEHONG BIO provides custom synthesis services for Tallysomycin S1a copper complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.