Vancomycin aglycone
TL;DR: Vancomycin aglycone (CAS 82198-76-3) is a chemical compound with molecular formula C53H52Cl2N8O17 and molecular weight 1142.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-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-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Also Known As: Vancomycin aglycon, Aglucovancomycin B, Balhimycin aglycon, vancomycin aglycone, Vancomycin EP Impurity C
| Molecular Formula | C53H52Cl2N8O17 |
|---|---|
| Molecular Weight | 1142.28 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 407.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 1142.2827 |
| Heavy Atoms | 80 |
| Complexity | 2290.0 |
Chemical Identifiers
| CAS Number | 82198-76-3 |
|---|---|
| SMILES | CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=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)Cl)O)NC |
| InChIKey | JHIKFOISFAQTJQ-YZANBJIASA-N |
Product Overview
Vancomycin aglycone (CAS 82198-76-3), with molecular formula C53H52Cl2N8O17 and molecular weight 1142.28 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-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-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid.
Chemical Property Profile of Vancomycin aglycone
Property Insights of Vancomycin aglycone
The XLogP value of -0.6 indicates that Vancomycin 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 Vancomycin aglycone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vancomycin aglycone has 15 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vancomycin aglycone?
The CAS number of Vancomycin aglycone is 82198-76-3.
What is the molecular formula of Vancomycin aglycone?
The molecular formula of Vancomycin aglycone is C53H52Cl2N8O17.
What is the molecular weight of Vancomycin aglycone?
The molecular weight of Vancomycin aglycone is 1142.28 g/mol.
Where can I buy Vancomycin aglycone?
You can request a quote for Vancomycin aglycone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vancomycin aglycone?
Yes, KEHONG BIO provides custom synthesis services for Vancomycin aglycone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.