Desvancosaminyl Vancomycin
TL;DR: Desvancosaminyl Vancomycin (CAS 101485-50-1) is a chemical compound with molecular formula C59H62Cl2N8O22 and molecular weight 1304.34 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-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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: DESVANCOSAMINYL VANCOMYCIN, pseudovancomycin, Vancomycin EP Impurity D, pseudo-Vancomycin, vancomycin pseudoaglycone
| Molecular Formula | C59H62Cl2N8O22 |
|---|---|
| Molecular Weight | 1304.34 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 486.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 1304.3356 |
| Heavy Atoms | 91 |
| Complexity | 2620.0 |
Chemical Identifiers
| CAS Number | 101485-50-1 |
|---|---|
| SMILES | CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC |
| InChIKey | QCHYVJAUGVHJHX-PZIRYZLHSA-N |
Product Overview
Desvancosaminyl Vancomycin (CAS 101485-50-1), with molecular formula C59H62Cl2N8O22 and molecular weight 1304.34 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 Desvancosaminyl Vancomycin
Property Insights of Desvancosaminyl Vancomycin
The XLogP value of -2.4 indicates that Desvancosaminyl Vancomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 486.0 Ų indicates high polarity, suggesting Desvancosaminyl Vancomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desvancosaminyl Vancomycin has 18 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desvancosaminyl Vancomycin?
The CAS number of Desvancosaminyl Vancomycin is 101485-50-1.
What is the molecular formula of Desvancosaminyl Vancomycin?
The molecular formula of Desvancosaminyl Vancomycin is C59H62Cl2N8O22.
What is the molecular weight of Desvancosaminyl Vancomycin?
The molecular weight of Desvancosaminyl Vancomycin is 1304.34 g/mol.
Where can I buy Desvancosaminyl Vancomycin?
You can request a quote for Desvancosaminyl Vancomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desvancosaminyl Vancomycin?
Yes, KEHONG BIO provides custom synthesis services for Desvancosaminyl Vancomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.