Ezomycin A1
TL;DR: Ezomycin A1 (CAS 39422-19-0) is a chemical compound with molecular formula C26H38N8O15S and molecular weight 734.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-amino-6-[[3-(2-amino-2-carboxyethyl)sulfanyl-1-carboxypropyl]carbamoyl]-3-hydroxyoxan-2-yl]oxy-2-(4-amino-2-oxopyrimidin-1-yl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
Also Known As: Ezomycin A1, J3.708.368B, 6-[4-amino-6-[[3-(2-amino-2-carboxyethyl)sulfanyl-1-carboxypropyl]carbamoyl]-3-hydroxyoxan-2-yl]oxy-2-(4-amino-2-oxopyrimidin-1-yl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid, 2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-6-{[4-amino-6-({3-[(2-amino-2-carboxyethyl)sulfanyl]-1-carboxypropyl}carbamoyl)-3-hydroxyoxan-2-yl]oxy}-7-(carbamoylamino)-3-hydroxy-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid, 6-[4-Amino-6-[[3-[(2-amino-2-carboxyethyl)thio]-1-carboxypropyl]carbamoyl]-3-hydroxytetrahydro-2H-pyran-2-yl]oxy-2-(4-amino-2-oxopyrimidine-1-yl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
| Molecular Formula | C26H38N8O15S |
|---|---|
| Molecular Weight | 734.22 g/mol |
| LogP | -5.7343 |
| Topological Polar Surface Area | 386.45 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 734.2177 |
| Heavy Atoms | 50 |
| Complexity | 1503.1079 |
Chemical Identifiers
| CAS Number | 39422-19-0 |
|---|---|
| SMILES | C1C(C(C(OC1C(=O)NC(CCSCC(C(=O)O)N)C(=O)O)OC2C(C3C(C(C(O3)N4C=CC(=NC4=O)N)O)OC2C(=O)O)NC(=O)N)O)N |
Product Overview
Ezomycin A1 (CAS 39422-19-0), with molecular formula C26H38N8O15S and molecular weight 734.22 g/mol. IUPAC: 6-[4-amino-6-[[3-(2-amino-2-carboxyethyl)sulfanyl-1-carboxypropyl]carbamoyl]-3-hydroxyoxan-2-yl]oxy-2-(4-amino-2-oxopyrimidin-1-yl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid.
Chemical Property Profile of Ezomycin A1
Property Insights of Ezomycin A1
The XLogP value of -5.7343 indicates that Ezomycin A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.45 Ų indicates high polarity, suggesting Ezomycin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ezomycin A1 has 11 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 Ezomycin A1?
The CAS number of Ezomycin A1 is 39422-19-0.
What is the molecular formula of Ezomycin A1?
The molecular formula of Ezomycin A1 is C26H38N8O15S.
What is the molecular weight of Ezomycin A1?
The molecular weight of Ezomycin A1 is 734.22 g/mol.
Where can I buy Ezomycin A1?
You can request a quote for Ezomycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ezomycin A1?
Yes, KEHONG BIO provides custom synthesis services for Ezomycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.