Eremomycin aglycone
TL;DR: Eremomycin aglycone (CAS 119789-44-5) is a chemical compound with molecular formula C53H53ClN8O17 and molecular weight 1108.3218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid
Also Known As: Eremomycin aglycone, Eremomycin aglycon, (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid, (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid, (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47-chloro-2,18,32,35,37,48-hexahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
Technical Specifications
| Molecular Formula | C53H53ClN8O17 |
| Molecular Weight | 1108.3218 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 407.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 1108.3218 Da |
| Heavy Atoms | 79 |
| Complexity | 2240.0 |
| SMILES | CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=CC=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)O)NC |
| InChIKey | RWFDKJBPMLNBSI-GAZOPBORSA-N |
Chemical Property Profile of Eremomycin aglycone
Property Insights of Eremomycin aglycone
The XLogP value of -1.2 indicates that Eremomycin aglycone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 407.0 Ų indicates high polarity, suggesting Eremomycin aglycone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eremomycin aglycone has 15 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Eremomycin aglycone?
The CAS number of Eremomycin aglycone is 119789-44-5.
What is the molecular formula of Eremomycin aglycone?
The molecular formula of Eremomycin aglycone is C53H53ClN8O17.
What is the molecular weight of Eremomycin aglycone?
The molecular weight of Eremomycin aglycone is 1108.3218 g/mol.
Where can I buy Eremomycin aglycone?
You can request a quote for Eremomycin aglycone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Eremomycin aglycone?
Yes, CoreyChem provides custom synthesis services for Eremomycin aglycone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.